*akg2011 ... Enthalpy and entropy: Lemire, R.J. et al. 2013. Chemical * Thermodynamics of Iron Part 1, in: Perrone, J. (Ed.). OECD Nuclear * Energy Agency, Issy-les-Moulineaux, France, p. 1083. Heat capacity: * Snow, C.L., Smith, S.J., Lang, B.E., Shi, Q., Boerio-Goates, J., * Woodfield, B.F., Navrotsky, A., 2011. Heat capacity studies of the * iron oxyhydroxides akaganéite (b-FeOOH) and lepidocrocite (g-FeOOH). * J. Chem Thermodynamics 43, 190-199. Note that heat capacity was * measured only to 26.85 C; we extrapolate to 150C. Molar volume: No * new data; use goethite. * *Bess05 ... Bessinger, Brad, and Apps, John A. The Hydrothermal Chemistry of * Gold, Arsenic, Antimony, Mercury and Silver. Unpublished manuscript. * Also, includes new data for HS- and H2S. * *Diak98a ... Diakonov, I.I., Ragnarsdottir, K.V., Tagirov, B.R., 1998a. * Standard thermodynamic properties and heat capacity equations * of rare earth hydroxides: II. Ce(III)-, Pr-, Sm-, Eu(III)-, Gd-, * Tb-, Dy-, Ho-, Er-, Tm-, Yb-, and Y-hydroxides. Comparison of * thermochemical and solubility data. Chem. Geol. 151, 327-347. * Molar volume from Milligan et al. (1979).Rare-earth tri-hydroxide * paramters. Journal of Applied Crystallography 12, 411-412. * *Diak98b ... Diakonov, I.I., Tagirov, B.R., Ragnarsdottir, K.V., 1998b. * Standard thermodynamic properties and heat capacity equations * for rare earth element hydroxides: I. La(OH)3(s) and Nd(OH)3(s). * Comparison of thermochemical and solubility data. Radiochimica * Acta 81, 107-116. * *Gysi15 ... Gysi, A.P., Williams-Jones, A.E., 2015. The thermodynamic * properties of bastnäsite-(Ce) and parisite-(Ce). Chem. Geol. 392, * 87-101. * *Janots07 ... Janots, E. et al. Thermochemistry of monazite-(La) and * dissakisite-(La): Implications for monazite and allanite stability * in metapelites. Contrib. Mineral Petrol. 154, 1-14. * *MA07 ... Matschei, Thomas; Lothenbach, Barbara; Glasser, Fredrik P. * 2007, Thermodynamic properties of Portland cement * hydrates in the system CaO–Al2O3–SiO2–CaSO4–CaCO3–H2O: * Cement and Concrete Research, v. 37, n. 10, pp. 1379-1410 * *MGC2016 ... Migdisov, A., Williams-Jones, A.E., Brugger, J., Caporuscio, * F.A., 2016. Hydrothermal transport, deposition, and fractionation * of the REE: Experimental data and thermodynamic calculations. Chem. * Geol. 439, 13-42. * *Ogor12 ... G, H, S, and Cp: Ogorodova, L.P., Melchakova, L.V., Kiseleva, I.A., * Peretyazhko, I.S., 2012. Thermodynamics of natural tourmalines-Dravite * and schorl. Thermochimica Acta 539, 1-6. MOLAR VOLUME: Van Hinsberg, * V.J., Schumacher, J.C., 2007. Using estimated thermodynamic properties * to model accessory phases: the case of tourmaline. J. Metamorph. Geol. * 25, 769-779. Enthalpies adjusted slightly (all by <1540 J = 368 cal) to * make consistent with data from Holland and Powell. * *RG97 ... Goodgame,V.Roland. (1997) The distribution and origin of arsenic * and platinum group element mineralization in the Mariners nickel * deposit, Widgiemooltha, Western Australia. Unpublished Ph.D. * thesis, University of Oregon. * *RH95 ... Robie, R.A., and Hemingway, B.S. (1995). Thermodynamic properties * of minerals and related substances at 298.15K and 1 bar (105 pascals) * and at higher temperatures. USGS Bulletin 2131: 461 p. Minerals with * five heat capacity coefficients re-regressed to have four, as for * Holland and Powell. Cp error for dawsonite coeff A3 corrected * 2020-02-12. * *RHF78 ... Robie, R.A. et al. (1978). Thermodynamic properties of minerals and * related substances at 298.15K and 1 bar (105 pascals) and at higher * temperatures." USGS Bulletin 1452: 456 p. Minerals with * five heat capacity coefficients re-regressed to have four. * *RSH94 ... Robie, R.A., Seal, R.R., and Hemingway, B.S. (1994) Heat capacity * and entropy of bornite (Cu5FeS4) between 6 and 760K and the * thermodynamic properties of phases in the system Cu-Fe-S. * Canadian Mineralogist, 32, 945–956. * *Sack00 ... Sack, R.O., 2000. Internally consistent database for sulfides * and sulfosalts in the system Ag2S-Cu2S-ZnS-Sb2S3-As2S3. Geochim. * Cosmochim. Acta 64, 3803-3812. * *Spear2010 ... Spear, F.S., 2010. Monazite–allanite phase relations in * metapelites. Chem. Geol. 279, 55-62. Heat capacity for allanite * re-regressed to conform to the Holland and Powell heat capacity * equation * *S&P2010 ... Spear, F.S., Pyle, J.M., 2010. Theoretical modeling of monazite * growth in a low-Ca metapelite. Chem. Geol. 273, 111-119. * *ST88 ... DG, DH, Cp, S, V from Stoessell, R.K., 1988. 25°C and 1 atm * dissolution experiments of sepiolite and kerolite, GCA 52, 365-374. * DG recalculated using old SiO2,aq and new H4SiO4,aq, so that log K * at STP is unchanged. Since Supcrt uses DH and S instead of DG, also * recalculate DH using S, S-elements, and DG. * *TU14 ... Tutolo, B. M., X.-Z. Kong, et al. (2014). "Internal consistency * in aqueous geochemical data revisited: Applications to the aluminum * system." Geochimica et Cosmochimica Acta 133: 216-234. * *WH77 ... Chalcedony - Cp, S, V from qaurtz in Holland and Powell 2011; * Delta H, G @ 25C adjusted so that the differences between chalcedony * and HP2011 quartz are the same as the differences in Walther and * Helgeson 1977, Calculation of the thermodynamic properties of aqueous * silica and the solubility of quartz and its polymorphs at high * pressures and temperatures. Am. J. Sci. 277, 1315-1351. * Amorphous silica - Cp, S, V from amorphous-silica in Walther and * Helgeson 1977. Delta H, G @ 25C adjusted so that the differences * between amorphous silica and quartz are the same as the difference in * Walther and Helgeson 1977. * W&H 1977 data valid only to 375C. * *Wo92 ... WO90:EQ3/6 database from Bill Borcier, LLNL, 1990. Data for * U-bearing aqueous species and minerals, smectite clays. * *XI03 ... Xiong, Yongliang, 2003, Predicted equilibrium constants for solid * and aqueous selenium species to 300 C: Applications to selenium-rich * mineral deposits; Ore Geology Reviews 23 (2003) 259–276 * *118 ************************************************************************ minerals that do not undergo phase transitions ************************************************************************ hydroxyapatite Ca5(PO4)3(OH) apat-hyd Ca(5)P(3)O(13)H(1) RH95 05.MAY.09 -1513879.6 -1609770.7 93.263 159.600 92.642140 28.332537 -30.339226 432.632585 1000.00 fluorapatite Ca5(PO4)3F apat-F C(1)P(3)O(12)F RH95 05.MAY.09 -1550334.7 -1641662.7 92.666 157.560 180.195891 -7.228858 -2.170091 -1481.366460 1000.00 topaz Al2SiO4F2 topaz Al(2)Si(1)O(4)F(2) RH95 15.FEB.10 -695650.1 -737213.2 25.191 51.530 112.667304 -19.514818 3.035373 -1311.185468 1000.00 hydrogarnet Ca3Al2(OH)12 C3AH6 Ca(3)Al(2)O(12)H(12) MA07 30.JUN.08 -1197442.6 -1324091.8 100.143 150.000 69.789675 134.082218 0.000000 0.000000 1000.00 hydrogarnet-Si Ca3Al2(SiO4)0.8(OH)8.8 C3AS0.8H4.4 Ca(3)Al(2)Si(0.8)O(12)H(8.8) MA07 30.JUN.08 -1282982.8 -1399378.6 88.193 143.000 26.051625 150.812620 -4.660612 611.854685 1000.00 ettringite Ca6Al2(SO4)3(OH)12(H2O)26 C6AsH32 Ca(6)Al(2)S(3)O(50)H(64) MA07 30.JUN.08 -3634297.3 -4190965.6 454.111 707.000 463.432122 188.575526 0.000000 0.000000 1000.00 tricarboaluminate Ca6Al2(CO3)3(OH)12(H2O)26 C6AcH32 Ca(6)Al(2)C(3)O(47)H(64) MA07 30.JUN.08 -3481262.0 -4013384.3 444.073 650.000 488.049713 133.604207 -18.594646 0.000000 1000.00 monosulfoaluminate Ca4Al2(SO4)(OH)12(H2O)6 C4AsH12 Ca(4)Al(2)S(1)O(22)H(24) MA07 30.JUN.08 -1859106.1 -2091300.2 196.224 309.000 141.969407 279.158700 0.000000 0.000000 1000.00 monocarboaluminate Ca4Al2(CO3)(OH)12(H2O)5 C4AcH11 Ca(4)Al(2)C(1)O(20)H(22) MA07 30.JUN.08 -1753704.6 -1971797.3 157.027 262.000 147.705545 234.703633 -6.190249 0.000000 1000.00 hemicarboaluminate Ca4Al2(CO3)0.5(OH)13(H2O)5.5 C4Ac0.5H12 Ca(4)Al(2)C(0.5)O(20)H(24) MA07 30.JUN.08 -1753346.1 -1976577.4 170.411 285.000 158.699809 242.351816 -3.107075 -191.204589 1000.00 C4AH13 Ca4Al2(OH)14(H2O)6 C4AH13 Ca(4)Al(2)O(20)H(26) MA07 30.JUN.08 -1751099.4 -1984225.6 167.304 274.000 169.933078 250.239006 0.000000 -382.409178 1000.00 C2AH8 Ca2Al2(OH)10(H2O)3 C2AH8 Ca(2)Al(2)O(13)H(16) MA07 30.JUN.08 -1150286.8 -1298518.2 105.163 184.000 93.690249 170.650096 0.000000 -191.204589 1000.00 stratlingite Ca2Al2SiO2(OH)10(H2O)3 C2ASH8 Ca(2)Al(2)Si(1)O(15)H(16) MA07 30.JUN.08 -1363551.6 -1520076.5 130.497 216.000 104.684512 179.015296 -2.700765 -191.204589 1000.00 jennite Ca1.667SiO2(OH)3.333(H2O)0.430 C1.67SH2.1 Ca(1.667)Si(1)O(5.763)H(4.193) MA07 30.JUN.08 -592925.4 -650812.6 33.461 78.000 50.191205 28.680688 -7.337476 0.000000 1000.00 tobermorite Ca0.833SiO2(OH)1.667(H2O)0.5 C0.83SH1.3 Ca(0.833)Si(1)O(4.167)H(2.667) MA07 30.JUN.08 -416921.6 -457935.0 19.120 59.000 20.315488 38.240918 0.000000 0.000000 1000.00 alite Ca3SiO5 C3S Ca(3)Si(1)O(5) MA07 30.JUN.08 -665463.7 -700525.8 40.392 73.000 49.952199 8.604207 -10.157744 0.000000 1000.00 belite Ca2SiO4 b-C2S Ca(2)Si(1)O(4) MA07 30.JUN.08 -524187.4 -551625.2 30.593 52.000 36.328872 8.843212 -7.241874 0.000000 1000.00 C3A Ca3Al2O6 C3A Ca(3)Al(2)O(6) MA07 30.JUN.08 -808389.1 -851099.4 48.996 89.000 62.380497 4.541109 -12.093690 0.000000 1000.00 C4AF Ca4Al2Fe2O10 C4AF Ca(4)Al(2)Fe(2)O(10) MA07 30.JUN.08 -1144001.0 -1214149.1 77.916 130.000 89.388145 17.447419 0.000000 0.000000 1000.00 CAH10 CaAl2(OH)8(H2O)6 CAH10 Ca(1)Al(2)O(14)H(20) MA07 30.JUN.08 -1104780.1 -1271510.5 119.742 194.000 36.089866 266.013384 0.000000 764.818356 1000.00 silica-am-MA07 SiO2 Si-am Si(1)O(2) MA07 30.JUN.08 -202892.0 -215822.2 9.799 29.000 11.233270 8.126195 -2.700765 0.000000 1000.00 gypsum-MA07 CaSO4(H2O)2 gyps Ca(1)S(1)O(6)H(4) MA07 30.JUN.08 -429684.5 -483508.6 46.367 75.000 21.749522 76.003824 0.000000 0.000000 1000.00 anhydrite-MA07 CaSO4 anh Ca(1)S(1)O(4) MA07 30.JUN.08 -315989.5 -342973.2 25.574 46.000 16.730402 23.661568 0.000000 0.000000 1000.00 portlandite-MA07 Ca(OH)2 prtl Ca(1)O(2)H(2) MA07 30.JUN.08 -214388.1 -235420.7 19.837 33.000 44.694073 -5.258126 0.000000 -382.409178 1000.00 lime-MA07 CaO lime Ca(1)O(1) MA07 30.JUN.08 -144359.5 -151768.6 9.321 17.000 11.711281 0.956023 -1.560707 0.000000 1000.00 calcite-MA07 CaCO3 cc Ca(1)C(1)O MA07 30.JUN.08 -269885.3 -288479.9 22.228 37.000 25.095602 5.258126 -6.190249 0.000000 1000.00 gibbsite-MA07 Al(OH)3 gbs Al(1)O(3)H(3) MA07 30.JUN.08 -275095.6 -308078.4 16.730 32.000 8.604207 45.650096 0.000000 0.000000 1000.00 gibbsite-TU14 Al(OH)3 gbs Al(1)O(3)H(3) TU14 11.FEB.20 -276030.0 -309060.0 17.800 32.000 8.604207 45.600000 0.000000 0.000000 1000.00 fluorphlogopite KMg3(AlSi3)O10F2 phlogo-F K(1)Mg(3)Al(1)Si(3)O(10)F(2) RHF78 22.OCT.96 -1446803.1 -1527935.0 80.378 146.370 117.798572 11.735899 -15.771272 -374.952199 1000.00 cerium Ce Ce Ce(1) RH95 12.Feb.15 0.0 0.0 17.208 20.770 3.350143 4.610899 -0.258174 34.581740 999.00 cerianite CeO2 cer Ce(1)O(2)) RH95 12.Feb.15 -245076.5 -260205.5 14.890 23.850 19.189771 1.362189 -1.743308 -50.167304 1800.00 Ce2O3(s) Ce2O3 Ce2O3(s) Ce(2)O(3) RHF78 1.Nov.14 -408207.5 -429302.1 35.999 47.750 31.228489 4.855402 -4.075765 0.000000 1000.00 dysprosium Dy Dy Dy(1) RHF78 1.Nov.14 0.0 0.0 17.899 19.010 -3.786284 5.497495 -1.970421 191.128258 1657.00 Dy2O3(s) Dy2O3 Dy2O3(s) Dy(2)O(3) RHF78 1.Nov.14 -423371.2 -445298.8 35.801 45.683 9.140296 8.893403 -11.503585 480.975143 1590.00 erbium Er Er Er(1) RHF78 1.Nov.14 0.0 0.0 17.490 18.449 2.135772 3.128940 -0.776977 77.841421 1795.00 Er2O3(s) Er2O3 Er2O3(s) Er(2)O(3) RHF78 1.Nov.14 -432332.5 -453599.4 37.199 44.171 39.084608 0.016595 3.822180 -261.878585 1800.00 europium Eu Eu Eu(1) RHF78 1.Nov.14 0.0 0.0 19.309 28.970 -4.779432 7.656514 -2.118960 195.994893 1090.00 EuO(s) EuO EuO Eu(1)O(1) RHF78 1.Nov.14 -132906.8 -141501.0 15.000 20.475 11.262906 1.649450 -0.093874 0.000000 1800.00 Eu2O3(s) Eu2O3 Eu2O3 Eu(2)O(3) RHF78 1.Nov.14 -371691.7 -394698.9 35.000 44.020 35.138623 0.000000 -6.655354 0.000000 895.00 gadolinium Gd Gd Gd(1) RHF78 1.Nov.14 0.0 0.0 16.360 19.890 -1.901846 3.039467 -2.602233 175.607289 1533.00 Gd2O3(s) Gd2O3 Gd2O3 Gd(2)O(3) RHF78 1.Nov.14 -414038.7 -434899.6 36.300 43.400 28.501434 3.246893 -1.158843 -34.299713 1800.00 holmium Ho Ho Ho(1) RHF78 1.Nov.14 0.0 0.0 17.930 18.740 -7.332527 6.788035 -3.243448 266.497486 1731.00 Ho2O3(s) Ho2O3 Ho2O3 Ho(2)O(3) RHF78 1.Nov.14 -428148.4 -449498.1 37.801 44.900 17.720124 5.489006 -8.938576 280.401530 1800.00 lanthanum La La La(1) RHF78 1.Nov.14 0.0 0.0 13.599 22.470 -7.719663 7.973901 -2.517304 252.966192 1134.00 La2O3(s) La2O3 La2O3 La(2)O(3) RHF78 1.Nov.14 -407734.9 -428699.8 30.430 49.560 31.314532 2.527725 -2.689293 -55.970363 1800.00 lutetium Lu Lu Lu(1) RHF78 1.Nov.14 0.0 0.0 12.180 17.770 -1.012674 4.216093 -1.266499 130.820119 1800.00 Lu2O3(s) Lu2O3 Lu2O3 Lu(2)O(3) RHF78 1.Nov.14 -427545.2 -448900.6 26.281 42.220 35.145793 0.000000 -4.194073 -127.612333 1800.00 neodymium Nd Nd Md(1) RHF78 1.Nov.14 0.0 0.0 16.991 20.570 -3.604292 8.773871 -1.317620 155.912814 1128.00 Nd2O3(s) Nd2O3 Nd2O3 Nd(2)O(3) RHF78 1.Nov.14 -411340.3 -432100.9 37.899 45.920 27.662524 7.117352 -2.840105 0.000000 1395.00 praseodymium Pr Pr Pr(1) RHF78 1.Nov.14 0.0 0.0 17.670 20.800 0.000000 7.000717 -0.342376 83.871893 1068.00 PrO1.833(s) PrO1.833 PrO1.833 PrO(1.833) RHF78 1.Nov.14 -429400.1 -455200.8 19.099 24.600 15.110852 9.920851 0.443192 -48.894728 1100.00 Pr2O3(s) Pr2O3 Pr2O3 Pr(2)O(3) RHF78 1.Nov.14 -411334.8 -432500.0 37.899 46.530 33.090344 4.986616 -0.157029 -97.074570 1800.00 scandium Sc Sc Sc(1) RHF78 1.Nov.14 0.0 0.0 8.279 15.038 1.042562 3.732641 -1.015700 87.552754 1608.00 Sc2O3(s) Sc2O3 Sc2O3 Sc(2)O(3) RHF78 1.Nov.14 -434840.1 -456218.9 18.401 35.910 46.498566 -2.918738 1.019837 -418.905354 1800.00 samarium Sm Sm Sm(1) RHF78 1.Nov.14 0.0 0.0 16.611 19.980 40.366976 -9.942472 6.430133 -648.614552 1190.00 Sm2O3(s) Sm2O3 Sm2O3 Sm(2)O(3) RHF78 1.Nov.14 -429419.2 -435700.3 36.099 45.040 30.690727 4.910373 -4.499761 0.000000 1195.00 terbium Tb Tb Tb(1) RHF78 1.Nov.14 0.0 0.0 17.519 19.290 4.276769 4.218451 1.222490 0.000000 1560.00 Tb2O3(s) Tb2O3 Tb2O3 Tb(2)O(3) RHF78 1.Nov.14 -424606.4 -445800.7 37.500 46.480 21.185229 7.726099 -4.876434 168.740440 1800.00 thulium Tm Tm Tm(1) RHF78 1.Nov.14 0.0 0.0 17.689 18.126 9.268164 0.948112 1.940535 -91.058795 1600.00 Tm2O3(s) Tm2O3 Tm2O3 Tm(2)O(3) RHF78 1.Nov.14 -428882.9 -451400.6 33.401 43.420 31.221319 0.673781 -3.950287 0.000000 1600.00 ytterbium-lo Yb-lo Yb-lo Yb(1) RHF78 1.Nov.14 0.0 0.0 14.300 24.830 -288.629977 164.134581 -50.546200 5229.472726 553.00 ytterbium-hi Yb-hi Yb-hi Yb(1) RHF78 1.Nov.14 0.0 0.0 14.300 24.830 5.762987 1.701476 0.779518 2.982240 1033.00 Yb2O3(s) Yb2O3 Yb2O3 Yb(2)O(3) RHF78 1.Nov.14 -412725.6 -433699.8 31.800 42.760 32.538241 -0.482170 -4.762906 0.000000 1365.00 yttrium Y Y Y(1) RHF78 1.Nov.14 0.0 0.0 10.619 15.038 5.015535 2.012476 -0.226747 16.386472 1752.00 Y2O3(s) Y2O3 Y2O3 Y(2)O(3) RHF78 1.Nov.14 -434180.0 -455380.0 23.681 44.880 28.934034 2.055903 -4.416826 0.000000 1330.00 Y(OH)3(s) Y(OH)3 Y(OH)3 Y(1)O(3)H(3) Diak98a 02.Feb.18 -319909.2 -351888.1 23.712 36.229 52.740270 0.792394 -0.671360 -449.182869 1000.00 La(OH)3(s) La(OH)3 La(OH)3 La(1)O(3)H(3) Diak98b 02.Feb.18 -306931.2 -338456.0 28.157 42.770 51.272993 0.773184 -0.807522 -389.320217 1000.00 Pr(OH)3(s) Pr(OH)3 Pr(OH)3 Pr(1)O(3)H(3) Diak98a 02.Feb.18 -306142.4 -337906.3 31.477 40.967 51.251309 0.381073 -0.652563 -388.435547 1000.00 Nd(OH)3(s) Nd(OH)3 Nd(OH)3 Nd(1)O(3)H(3) Diak98b 02.Feb.18 -306644.4 -338336.5 31.040 39.430 51.501075 0.605013 -0.425047 -398.625632 1000.00 Eu(OH)3(s) Eu(OH)3 Eu(OH)3 Eu(1)O(3)H(3) Diak98a 02.Feb.18 -282170.2 -315272.5 28.652 38.437 51.186257 4.599578 -0.793798 -385.781538 1000.00 Gd(OH)3(s) Gd(OH)3 Gd(OH)3 Gd(1)O(3)H(3) Diak98a 02.Feb.18 -305019.1 -336735.2 30.265 37.930 52.275271 1.288033 -0.682981 -430.211618 1000.00 Tb(OH)3(s) Tb(OH)3 Tb(OH)3 Tb(1)O(3)H(3) Diak98a 02.Feb.18 -306190.2 -338145.3 30.681 37.356 52.291333 0.794095 -0.282341 -430.866929 1000.00 Ho(OH)3(s) Ho(OH)3 Ho(OH)3 Ho(1)O(3)H(3) Diak98a 02.Feb.18 -310086.0 -342041.1 31.080 36.382 52.568405 2.891080 -0.334840 -442.171043 1000.00 apatite-Ce Ca4Ce(SiO4)(PO4)2OH apat-Ce Ca(4)Ce(1)Si(1)P(2)O(13)H(1) Spear10 31.Aug.15 -1485408.7 -1580332.5 98.308 159.7 92.686424 28.346080 -30.353728 432.839388 1000.00 apatite-Y-F Ca4Y(SiO4)(PO4)2F apat-Y-F Ca(4)Y(1)Si(1)P(2)O(12)F(1) S&P2010 31.Aug.15 -1605899.4 -1696132.9 91.551 156.23 180.282027 -7.241874 -2.171128 -1482.074570 1000.00 apatite-Ce-F Ca4Ce(SiO4)(PO4)2F apat-Ce-F Ca(4)Ce(1)Si(1)P(2)O(12)F(1) S&P2010 31.Aug.15 -1603934.8 -1696132.9 91.551 157.66 180.282027 -7.241874 -2.171128 -1482.074570 1000.00 monazite-Y YPO4 mnz-Y Y(1)P(1)O(4) S&P2010 31.Aug.15 -447385.2 -475071.7 25.643 43.0 18.654398 27.963671 -2.208413 0.000000 1000.00 monazite-La LaPO4 mnz-La La(1)P(1)O(4) ref:Janots07 15.Jan.15 -445960.8 -474593.7 25.478 46.040 24.608 12.667304 -3.423040 0.000000 623.00 monazite-Ce CePO4 mnz-Ce Ce(1)P(1)O(4) Spear10 31.Aug.15 -442500.7 -470315.5 31.802 45.16 19.801625 29.397706 -2.037882 000.000000 623.00 monazite-La_MGC LaPO4 mnz-La_MGC La(1)P(1)O(4) MGC2016 05.Jul.16 -441808.8 -470297.7 25.884 46.040 28.950765 7.197897 -6.124522 0.000000 623.00 monazite-Ce_MGC CePO4 mnz-Ce_MGC Ce(1)P(1)O(4) MGC2016 05.Jul.16 -440841.3 -469429.9 28.681 45.160 29.925908 6.666826 -5.756453 0.000000 623.00 monazite-Pr_MGC PrPO4 mnz-Pr_MGC Pr(1)P(1)O(4) MGC2016 08.Sep.16 -442154.9 -470794.1 29.446 45.715 29.756214 7.259560 -5.854446 0.000000 623.00 monazite-Nd_MGC NdPO4 mnz-Nd_MGC Nd(1)P(1)O(4) MGC2016 08.Sep.16 -439841.3 -468409.3 29.374 45.139 31.778203 5.387428 -7.411329 0.000000 623.00 monazite-Sm_MGC SmPO4 mnz-Sm_MGC Sm(1)P(1)O(4) MGC2016 08.Sep.16 -409807.9 -438204.8 29.278 44.105 31.818834 5.608987 -7.334369 0.000000 623.00 monazite-Eu_MGC EuPO4 mnz-Eu_MGC Eu(1)P(1)O(4) MGC2016 08.Sep.16 -386772.3 -416131.9 28.011 43.693 32.877629 4.228728 -6.657266 0.000000 623.00 monazite-Gd_MGC GdPO4 mnz-Gd_MGC Gd(1)P(1)O(4) MGC2016 08.Sep.16 -437022.7 -483533.8 -29.780 43.303 31.845124 3.057600 -7.402486 0.000000 623.00 xenotime YPO4 xntm Y(1)P(1)O(4) S&P2010 31.Aug.15 -451827.6 -479514.1 25.643 43.0 18.654398 27.963671 -2.208413 0.000000 1000.00 xenotime-Tb_MGC TbPO4 xnt-Tb_MGC Tb(1)P(1)O(4) MGC2016 08.Sep.16 -437636.2 -465109.6 33.007 43.832 31.611075 11.376862 -2.601930 -118.577136 623.00 xenotime-Dy_MGC DyPO4 xnt-Dy_MGC Dy(1)P(1)O(4) MGC2016 08.Sep.16 -436440.7 -464311.1 33.007 43.348 44.335564 0.000000 -7.793977 -179.708413 623.00 xenotime-Er_MGC ErPO4 xnt-Er_MGC Er(1)P(1)O(4) MGC2016 08.Sep.16 -437681.6 -466849.6 27.868 42.373 56.836395 -3.050725 0.365259 -557.715579 623.00 xenotime-Yb_MGC YbPO4 xntm-Yb_MGC Yb(1)P(1)O(4) MGC2016 05.Jul.16 -430454.1 -457350.3 32.003 41.640 54.568911 -1.524826 0.020758 -515.650689 623.00 xenotime-Lu_MGC LuPO4 xntm-Lu_MGC Lu(1)P(1)O(4) MGC2016 05.Jul.16 -436595.1 -472394.5 28.011 41.190 56.630952 -4.254923 0.401230 -551.180444 623.00 xenotime-Y_MGC YPO4 xnt-Y_MGC Y(1)P(1)O(4) MGC2016 08.Sep.16 -441949.8 -469529.4 26.004 43.140 31.757248 4.624809 -8.377785 -8.034182 623.00 allanite CaCeFeAl2(SiO4)3OH aln Ca(1)Ce(1)Fe(1)Al(2)Si(3)O(13)H(1) Spear10 31.Aug.15 -1401818.5 -1506495.9 85.596 142.5 96.385516 34.641491 -12.794120 -178.252390 1000.00 dissakisite-La CaLaMgAl2(SiO4)3OH dsk-La Ca(1)La(1)Mg(1)Al(2)Si(3)O(13)H(1) ref:Janots07 15.Jan.15 -1572347.0 -1667423.5 74.068 137.800 100.838910 33.938815 -22.427820 0.000000 1000.00 Ag2O Ag2O Ag2O Ag(2)O(1) ref:Bess05 16.Jun.05 -2676.0 -7399.1 29.0 30.0 11.13 15.48 0.0 0.000000 623.15 altaite PbTe alt Pb(1)Te(1) ref:RG97 13.July.95 -16090.0 -16392.0 26.290 40.600 11.276400 2.686400 -.001265 0.000000 900.00 antimony Sb Sb Sb(1) ref:Bess05 16.Jun.05 0.0 0.0 10.773 18.18 2.49 5.93 1.88 0.000000 623.15 antimonselite Sb2Se3 anse Sb(2)Se(3) ref:Xi03 23.Feb.06 -30019.1 -30497.1 50.693 81.700 28.381931 0.005 0.0 0.000000 888.00 argentite Ag2S argt Ag(2)S(1) ref:Bess05 16.Jun.05 -9450.0 -6152.5 36.0 34.8 21.64 0.0 0.0 0.000000 623.15 arsenic_old As As As(1) ref:RG97 28.July.95 .0 .0 8.530 13.080 4.970000 .000000 .000000 0.000000 875.00 arsenic As As As(1) ref:Bess05 16.Jun.05 0.0 0.0 8.39 12.96 5.23 2.22 0.0 0.000000 623.15 arsenolite As2O3 arsenol As(2)O(3) ref:Bess05 16.Jun.05 -137640.0 -156904.8 25.67 51.12 20.98 17.73 -2.70 0.000000 623.15 arsenopyrite_old FeAsS arspy Fe(1)As(1)S(1) ref:RG97 6.July.95 -26200.0 -25200.0 25.900 27.140 15.030000 9.700000 .320000 0.000000 623.00 arsenopyrite FeAsS arspy Fe(1)As(1)S(1) ref:Bess05 16.Jun.05 -30000.0 -28989.3 25.9 26.42 15.03 9.7 0.34 0.000000 623.15 beidellite-Ca Ca.165Al2.33Si3.67O12H2 Bdl-Ca Ca(.165)Al(2.33)Si(3.67)O(12)H(2) ref:Wo92 -1280909.0 -1370670.5 58.300 129.530 82.191000 37.150000 -18.030000 0.000000 600.00 beidellite-H H.33Al2.33Si3.67O12H2 Bdl-H H(.33)Al(2.33)Si(3.67)O(12)H(2) ref:Wo92 -1260416.0 -1351116.7 58.700 130.700 81.438000 38.330000 -17.770000 0.000000 600.00 beidellite-K K.33Al2.33Si3.67O12H2 Bdl-K K(.33)Al(2.33)Si(3.67)O(12)H(2) ref:Wo92 -1281773.0 -1371907.9 60.510 133.730 83.319000 38.400000 -17.920000 0.000000 600.00 beidellite-Mg Mg.165Al2.33Si3.67O12H2 Bdl-Mg Mg(.165)Al(2.33)Si(3.67)O(12)H(2) ref:Wo92 -1277064.0 -1366900.6 57.700 123.190 81.945000 37.260000 -18.020000 0.000000 600.00 beidellite-Na Na.33Al2.33Si3.67O12H2 Bdl-Na Na(.33)Al(2.33)Si(3.67)O(12)H(2) ref:Wo92 -1279688.0 -1369780.2 59.620 130.540 83.277000 37.780000 -18.250000 0.000000 600.00 berthierite FeSb2S4 berth Fe(1)Sb(2)S(4) ref:Bess05 16.Jun.05 -61176.0 -61148.0 58.56 90.6 46.59 0.263 -3.86 0.000000 623.15 calcium Ca Ca Ca(1) ref:RG97 22.Apr.95 .0 .0 9.945 26.190 3.474900 5.669000 .790980 0.000000 720.00 chalcedony SiO2 Cha Si(1)O(2) ref:WH77 Walther DG,H Q-chalced; Q Cp -204340.8 -217337.5 9.902 22.690 22.203633 -0.153442 -1.708652 -171.152007 848.00 AMORPHOUS-SILICA SiO2*NH2O Amor-Sl Si(1)O(2)H(2N)O(N) ref:WH77 Walther DG,H Q-AmSi -202906.3 -214585.3 14.340 29.000 5.930000 47.200000 -22.780000 0.000000 622.00 claudetite As2O3 clau As(2)O(3) ref:Bess05 16.Jun.05 -137730.0 -156571.4 27.09 47.26 23.86 10.74 -3.44 0.000000 623.15 cobalt Co Co Co(1) RG97 28.July.95 .0 .0 7.180 6.620 5.810000 .000000 .000000 0.000000 1000.00 covellite_orig CuS Cv Cu(1)S(1) ref:1 5.May.78 -12612.0 -12500.0 15.900 20.420 10.600000 2.640000 0.000000 0.000000 1273.00 covellite CuS Cv Cu(1)S(1) ref:Sack00 18,Jul.02 -13189.0 -13043.0 16.073 20.440 10.600000 2.640000 0.000000 0.000000 1273.00 kotulskite PdTe Kot Pd(1)Te(1) ref:RG97 27.Jul.95 -9159.6 -8995.7 21.410 23.400 11.335000 3.088000 -.000302 0.000000 900.00 loellingite FeAs2 loel Fe(1)As(2) ref:Bess05 16.Jun.05 -12450.0 -10333.1 30.4 27.51 5.4 7.3 0.0 0.000000 623.15 millerite NiS mill Ni(1)S(1) ref:RHF78 12.Feb.98 -20600.3 -20283.9 15.801 16.89 9.25 6.400096 .000000 0.000000 600.00 merenskyite PdTe2 mrnsky Pd(1)Te(2) ref:RG97 13.Jul.95 -14463.0 -15163.0 30.240 36.160 16.870000 4.800000 -.000189 0.000000 900.00 moncheite PtTe2 Mon Pt(1)Te(2) ref:RG97 27.Jul.95 -12600.0 -14000.0 28.900 45.030 16.870000 4.800000 -.000190 0.000000 900.00 montmorillonite-Ca Ca.165Mg.33Al1.67Si4O12H2 Montm-Ca Ca(.165)Mg(.33)Al(1.67)Si(4)O(12)H(2) ref:Wo92 -1272340.0 -1361495.0 59.893 133.264 80.180000 39.500000 -16.650000 0.000000 600.00 montmorillonite-K K.33Mg.33Al1.67Si4O12H2 Montm-K K(.33)Mg(.33)Al(1.67)Si(4)O(12)H(2) ref:Wo92 -1273300.0 -1362827.0 62.103 137.432 84.320000 40.750000 -16.530000 0.000000 600.00 montmorillonite-Mg Mg.495Al1.67Si4O12H2 Montm-Mg Mg(.495)Al(1.67)Si(4)O(12)H(2) ref:Wo92 -1268590.0 -1357867.0 59.131 133.264 79.940000 39.610000 -16.630000 0.000000 600.00 montmorillonite-Na Na.33Mg.33Al1.67Si4O12H2 Montm-Na Na(.33)Mg(.33)Al(1.67)Si(4)O(12)H(2) ref:Wo92 -1271210.0 -1360688.0 61.213 137.432 81.270000 40.130000 -16.870000 0.000000 600.00 montroydite HgO montroy Hg(1)O(1) ref:Bess05 16.Jun.05 -13998.0 -21711.6 16.8 19.32 8.33 7.37 0.0 0.000000 623.15 niccolite NiAs nicc Ni(1)As(1) ref:RG97 28.Jul.95 -16070.0 -17509.0 10.840 17.650 15.229000 1.544000 -2.054700 0.000000 900.00 nontronite-Ca Ca.165Fe2Al.33Si3.67O12H2 Nontr-Ca Ca(.165)Fe(2)Al(.33)Si(3.67)O(12)H(2) ref:Wo92 -1079492.0 -1165643.0 66.350 131.100 78.190000 52.930000 -13.200000 0.000000 600.00 nontronite-Mg Mg.165Fe2Al.33Si3.67O12H2 Nontr-Mg Mg(.165)Fe(2)Al(.33)Si(3.67)O(12)H(2) ref:Wo92 -1075647.0 -1162875.0 65.740 129.760 77.945000 53.040000 -13.190000 0.000000 600.00 nontronite-H H.33Fe2Al.33Si3.67O12H2 Nontr-H H(.33)Fe(2)Al(.33)Si(3.67)O(12)H(2) ref:Wo92 -1058999.0 -500000.0 66.800 132.270 77.438000 54.110000 -12.940000 0.000000 600.00 nontronite-K K.33Fe2Al.33Si3.67O12H2 Nontr-K K(.33)Fe(2)Al(.33)Si(3.67)O(12)H(2) ref:Wo92 -1080356.0 -1167879.0 68.570 135.270 79.319000 54.180000 -13.090000 0.000000 600.00 nontronite-Na Na.33Fe2Al.33Si3.67O12H2 Nontr-Na Na(.33)Fe(2)Al(.33)Si(3.67)O(12)H(2) ref:Wo92 -1078271.0 -1165747.0 67.660 132.110 79.277000 53.560000 -13.420000 0.000000 600.00 orpiment As2S3 orp As(2)S(3) ref:Bess05 16.Jun.05 -20550.0 -20693.1 39.10 70.5 22.73 13.82 0.605 0.000000 623.15 pentlandite Fe4.5Ni4.5S8 Pent Fe(4.5)Ni(4.5)S(8) ref:RG97 3.Aug.95 -196226.0 -197473.0 118.030 157.240 86.539390 33.373000 -.000244 0.000000 900.00 pentlandite1 Fe4.5Ni4.5S8 pent1 Fe(4.5)Ni(4.5)S(8) ref:RG97 3.Aug.95 -196226.0 -200041.0 109.410 157.240 86.539390 33.373000 -.000244 0.000000 900.00 pentlandite-Co Co9S8 Pec Co(9)S(8) ref:RG97 27.jul.95 -199278.0 -203301.0 112.410 157.380 86.539000 33.373000 -.000244 0.000000 900.00 pentlandite-FE Fe9S8 Pef Fe(9)S(8) ref:RG97 27.July.9 -218840.0 -222180.0 108.000 151.820 86.539000 33.373000 -.000244 0.000000 900.00 pentlandite-Fe2 Fe9S8 Pent-Fe2 Fe(9)S(8) ref:RG97 27.Jul.95 -229063.0 -222180.0 142.290 151.820 86.539000 33.373000 -.000244 0.000000 900.00 pentlandite-Fe3 Fe9S8 Pent-Fe3 Fe(9)S(8) ref:RG97 28.Jul.95 -218840.0 -211957.0 124.700 151.820 86.539000 33.373000 -.000244 0.000000 900.00 pentlandite-Ni Ni9S8 Pent-Ni Ni(9)S(8) ref:RG97 27.July.95 -172790.0 -177900.0 107.820 156.974 86.539000 33.373000 -.000244 0.000000 900.00 PtTe PtTe PtTe Pt(1)Te(1) ref:RG97 27.Jul.95 -9300.0 -10000.0 19.400 32.270 11.335000 3.088000 -.000302 0.000000 900.00 realgar AsS realg As(1)S(1) ref:Bess05 16.Jun.05 -7930.0 -8833.4 12.96 29.8 12.94 -0.0133 1.396 0.000000 623.15 vysotskite PdS vys Pd(1)S(1) ref:RG97 13.Jul.95 -15938.0 -16892.0 13.490 20.980 9.965324 4.107939 -.729651 0.000000 900.00 senarmontite Sb2O3 senar Sb(2)O(3) ref:Bess05 16.Jun.05 -151400.0 -171578.9 27.37 52.21 22.53 12.03 -3.179 0.000000 623.15 sepiolite Mg4Si6O15(OH)2(H2O)2*4H2O Sep Mg(4)Si(6)O(23)H(14) ref:ST88 Stoessell GCA 88+Stefansson H4SiO4 -2211851.0 -2418657.8 146.600 285.600 157.920000 104.300000 -18.680000 0.000000 800.00 sperrylite PtAs2 Spe Pt(1)As(2) ref:RG97 25.Jul.95 -42200.0 -42200.0 27.000 29.230 .000000 .000000 .000000 0.000000 900.00 stibnite Sb2S3 stb Sb(2)S3 ref:Bess05 16.Jun.05 -35846.0 -32886.3 43.50 73.414 28.75 3.927 -1.264 0.000000 623.15 valentite Sb2O3 valent Sb(2)O(3) ref:Bess05 16.Jun.05 -149600.0 -169164.8 29.43 50.01 24.840 10.2 -3.197 0.000000 623.15 mascagnite (NH4)2SO4 mascagnite N(2)S(1))O(4)H(8) RH95 15.FEB.10 -215941.7 -282672.1 52.701 74.680 24.942639 66.634799 0.000000 0.000000 600.00 nitrate-Mg Mg(NO3)2 Mg-nitrate Mg(1)N(2)O(6) RH95 15.FEB.10 -140822.2 -188957.9 39.197 62.930 13.961998 65.229446 0.452892 0.000000 600.00 nitrate-Ca Ca(NO3)2 Ca-nitrate Ca(1)N(2)O(6) RH95 15.FEB.10 -177485.7 -224283.0 46.200 66.090 18.678298 41.443595 -6.639579 208.460803 800.00 nitrate-Sr Sr(NO3)2 Sr-nitrate Sr(1)N(2)O(6) RH95 15.FEB.10 -186185.5 -233795.4 46.511 70.930 320.004780 -90.583174 61.560707 -5636.233270 900.00 nitrobarite Ba(NO3)2 nitrobarite Ba(1)N(2)O(6) RH95 15.FEB.10 -190392.0 -237117.6 51.099 80.580 29.995220 35.779159 -3.991396 0.000000 800.00 niter KNO3 niter K(1)N(1)O(3) RH95 15.FEB.10 -94311.7 -118188.3 31.812 48.040 129.060548 -45.752487 13.878759 -1866.000404 700.00 niter-Na NaNO3 soda-niter Na(1)N(1)O(3) RH95 15.FEB.10 -94311.7 -118188.3 31.812 48.040 129.060548 -45.752487 13.878759 -1866.000404 700.00 niter-NH4 NH4NO3 ammonia-niter N(2)O(3)H(4) RH95 15.FEB.10 -43929.3 -87380.5 36.114 46.490 3595.531596 -2136.495111 490.546900 -60038.50920 500.00 dawsonite_CpERR NaAlCO3(OH)2 dawsonite Na(1)Al(1)C(1)O(5)H(2) RH95 15.FEB.10 -426864.2 -469407.3 31.549 59.300 8.224187 0.079995 0.001784 0.000000 500.00 dawsonite NaAlCO3(OH)2 dawsonite Na(1)Al(1)C(1)O(5)H(2) RH95 11.FEB.20 -426864.2 -469407.3 31.549 59.300 8.224187 0.079995 1.784000 0.000000 500.00 trevorite NiFe2O4 trevorite Ni(1)Fe(2)O(4) RH95 15.FEB.10 -230664.4 -255855.6 33.676 43.650 22.846558 40.750478 0.095411 0.000000 1000.00 bastnaesite-Ce Ce0.5La0.25Nd0.2Pr0.05CO3F bast-Ce Ce(.5)La(.25)Nd(.2)Pr(.05)C(1)O(3)F(1) Gysi15 30.Jun.15 -408628.1 -432218.0 36.066 42.91 32.098470 0.000000 -4.856597 0.000000 528.00 parisite-Ce CaCe.95La.6Nd.35Pr.1(CO3)3F2 paris-Ce CaCe(.95)La(.6)Nd(.35)Pr(.1)C(3)O(9)F(2) Gysi15 30.Jun.15 -1092614.7 -1158699.8 93.595 122.710 95.315488 0.000000 -10.043021 -250.478011 643.00 dravite_orig NaMg3Al6Si6B3O27(OH4) drv Na(1)Mg(3)Al(6)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3440965.6 -3672323.1 153.681 329.200 277.007648 19.120459 -86.496176 0.000000 973 schorl_orig NaFe3Al6Si6B3O27(OH4) scl Na(1)Fe(3)Al(6)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3229684.5 -3452676.9 177.820 330.700 246.199809 83.986616 -70.124283 0.000000 973 uvite_orig CaMg3(Al5Mg)Si6B3O27(OH4) uvt Ca(1)Mg(4)Al(5)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3488049.7 -3719168.3 154.159 334.200 281.142447 19.407266 -87.786807 0.000000 973 foitite-Mg_orig (Mg2Al)Al6Si6B3O27(OH4) ftt-Mg Mg(2)Al(7)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3427581.3 -3656787.8 147.945 332.000 271.128107 18.714149 -84.655832 0.000000 973 elbaite_orig Na(Li1.5Al1.5)Al6Si6B3O27(OH)4 elb Na(1)Li(1.5)Al(7.5)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3429732.3 -3661328.9 150.335 325.000 222.968451 88.790631 -58.532505 0.000000 973 liddicoatite_orig Ca(Li2Al)Al6Si6B3O27(OH)4 ldc Ca(1)Li(2)Al(7)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3467495.2 -3698613.8 149.618 322.200 224.641491 89.459847 -58.962715 0.000000 973 dravite NaMg3Al6Si6B3O27(OH4) drv Na(1)Mg(3)Al(6)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3440723.4 -3672081.0 153.681 329.200 277.007648 19.120459 -86.496176 0.000000 973 schorl NaFe3Al6Si6B3O27(OH4) scl Na(1)Fe(3)Al(6)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3229281.0 -3452273.4 177.820 330.700 246.199809 83.986616 -70.124283 0.000000 973 uvite CaMg3(Al5Mg)Si6B3O27(OH4) uvt Ca(1)Mg(4)Al(5)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3487722.7 -3718841.3 154.159 334.200 281.142447 19.407266 -87.786807 0.000000 973 foitite-Mg (Mg2Al)Al6Si6B3O27(OH4) ftt-Mg Mg(2)Al(7)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3427306.8 -3656513.3 147.945 332.000 271.128107 18.714149 -84.655832 0.000000 973 elbaite Na(Li1.5Al1.5)Al6Si6B3O27(OH)4 elb Na(1)Li(1.5)Al(7.5)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3429459.7 -3661056.2 150.335 325.000 222.968451 88.790631 -58.532505 0.000000 973 liddicoatite Ca(Li2Al)Al6Si6B3O27(OH)4 ldc Ca(1)Li(2)Al(7)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3467127.6 -3698246.1 149.618 322.200 224.641491 89.459847 -58.962715 0.000000 973 akaganeite FeO2H akg Fe(1)O(2)H(1) akg2011 31.JAN.19 -114674.6 -130186.4 19.097 20.820 51.047321 3.013396 0.971723 -536.975861 1000.00 count = 175 ************************************************************************ minerals that undergo two phase transitions ************************************************************************ bornite_orig Cu5FeS4 Bn Cu(5)Fe(1)S(4) ref:1,16 5.May.78 -86704.0 -79922.0 99.290 98.600 49.760000 35.080000 -1.350000 485.00 1430.0 999999.000 999999.000 -34.310000 247.000000 0.000000 540.00 0.0 999999.000 999999.000 80.330000 -2.040000 0.000000 1200.00 bornite Cu5FeS4 Bn Cu(5)Fe(1)S(4) ref:RSH94(MR1) 18.Jul.02 -94324.0 -88815.0 95.244 98.720 49.760000 35.080000 -1.350000 485.00 1430.0 999999.000 999999.000 -34.310000 247.000000 0.000000 540.00 0.0 999999.000 999999.000 80.330000 -2.040000 0.000000 1200.00 chalcocite_orig Cu2S Cc Cu(2)S(1) ref:1 5.May.78 -20626.0 -19000.0 28.900 27.480 12.630000 18.820000 0.000000 376.00 920.0 999999.000 999999.000 26.780000 -7.350000 0.000000 717.00 287.0 999999.000 999999.000 20.320000 0.000000 0.000000 1400.00 chalcocite Cu2S Cc Cu(2)S(1) ref:RSH94(MR1) 18.Jul.02 -21318.0 -20043.0 27.777 27.490 12.630000 18.820000 0.000000 376.00 920.0 999999.000 999999.000 26.780000 -7.350000 0.000000 717.00 287.0 999999.000 999999.000 20.320000 0.000000 0.000000 1400.00 chalcopyrite CuFeS2 cp Cu(1)Fe(1)S(2) ref:1,16 5.May.78 -44900.0 -44453.0 31.150 42.830 20.790000 12.800000 -1.340000 830.00 2405.0 999999.000 999999.000 -141.400000 210.000000 0.000000 930.00 0.0 999999.000 999999.000 41.220000 0.000000 0.000000 1200.00 chalcopyrite_New CuFeS2 Cp_too_stable? Cu(1)Fe(1)S(2) ref:RSH94(MR1) 18.Jul.02 -46616.0 -46589.0 29.852 43.920 20.790000 12.800000 -1.340000 830.00 2405.0 999999.000 999999.000 -141.400000 210.000000 0.000000 930.00 0.0 999999.000 999999.000 41.220000 0.000000 0.000000 1200.00 count = 6 ************************************************************************ gases ************************************************************************ NO2,gas NO2 NO2,gas N(1)O(2) RH95 15.FEB.10 12237.1 7911.1 57.385 0.000 23.352669 -1.839063 2.785374 -295.167728 2500.00 SO3,gas SO3 SO3,gas S(1)O(3) RH95 15.FEB.10 -88671.1 -94574.6 61.377 0.000 33.475266 -2.947384 2.341121 -399.388015 2200.00 HCl,gas HCl,gas HCl(g) H(1)Cl(1) RH95 11.Oct.17 -22776.6 -22062.6 44.670 0.000 5.635125 1.555644 0.182195 11.410511 1000.00 HF,gas HF,gas HF(g) H(1)F(1) RH95 11.Oct.17 -65823.7 -65320.3 41.539 0.000 3.015421 1.965125 -0.795250 73.520570 1000.00