Gastherm 1990 Special version for adding "new" minerals V.42.2024.04.25 Thermodynamic and related data for programs VOLCAL, SOLVGAS, and GASWORKS. These programs compute thermodynamic equilibrium among gases, liquids, and crystalline and vitreous solids This version of Gastherm contains data identical to the last working version from 1990. There have been minor changes in formatting, as listed under Modification Notes, below. Gastherm contains in order of appearance - - A text header not read by software, where the version number is v.number of basis components.date of last modification - Basis component gases data: mol.wt. of the gas, the element in the gas that makes it unique (adds an additional chemical element), mol.wt. of that element. All derived gases, liquids, and solids are a linear combination of these - Derived gas species data: Stochiometry, logKs at fixed temperature values, and regression coefficients for computing logKs at other temperatures - Derived solids and liquids data: Organized as for the derived gases. For a few minerals, also the integer identifier for its solid solution and real coefficient for the mixing site ______________________________ Modification Notes - 1990-April: V.4.00. The first and last recorded history that could be dredged. Robert Symonds, MTU 2015-June: V.4.01. H. Greenberg, M.H. Reed, J. Palandri Change chemical element symbol case from all caps to match those in the periodic table 2022-May-25: Add a text delimiter between derived gases, and the liquids and solids. Remove blank lines where in the past they were required wherever the preceding line exceeded 72 characters. Modify SOLVGAS and GASWORKS to accommodate these changes. Change name for Al2O3 glass from Al2O3(g) to Al2O3-gl. Some revision of the text header. 2024-April-25: Minor updates to text header. 2024-May: Changes for this special version for adding "new" minerals -Add blank mineral records with only balanced reactions, for new items from Holland and Powell, and non-silicates from Shock/Helgeson and others, that were not in Gastherm in 1990. Create entires in file GTSolids.tbl for these. -Adjust (double) the formulas for enstatite(s) and ferrosilite to be consistent with those in Holland and Powell (2011). -Change solids and liquids names from chemical forumula to mineral names for selected items. E.g. CaSO4(C) becomes anhydrite, NaCl(C) becomes halite, etc. ______________________________ For derived gases, liquids, and solids, the records are organized as follows- - Line 1: Density and stochiometry - Line 2: Log K's at 25 100 200 300 400 500 600 700 800 deg C - Line 3: Log K's at 900 1000 1100 1200 deg C, all at one atm - Line 4: Regression coefficients (a,b,c,d,e) for log K's as f(T) from 298.15 to 1473.15 K where interpolation of the log K's between the given temperature values is made by a least squares curve fit of the data using the equation: log K (deg K)= a + b/T + c*T + d/T**2 + e*log10(T) ______________________________ Sources of Data: References tags for each derived species are shown on the far right of the first line of the log K's. The legend for these tags (e.g., B674) are listed below. In general, the thermodynamic data for the derived species are valid up to 2000 K. Where the data do not extend to 2000 K, a (*) is in front of the reference code. In cases where the thermodynamic data did not extend to 1500 K, the heat capacity equation was extrapolated. AN85: Anovitz, L. M., Treiman, A. H., Essene, E. J., Hemingway, B. S., Westrum, E. F., Jr., Wall, V. J., Burriel, R., and Bohlen, S. R., 1985, The heat-capacity of ilmenite and phase equilibria in the system Fe-Ti-O: Geochim. et Cosmochim. Acta, v. 49, p. 2027-2040. B672: Pankratz, L. B., 1982, Thermodynamic properties of elements and oxides: U.S. Bur. Mines Bull. 672, 509 p. B674: Pankratz, L. B., 1984, Thermodynamic properties of halides: U.S. Bur. Mines Bull. 674, 826 p. B677: Pankratz, L. B., Stuve, J. M., and Gokcen, N. A., 1984, Thermodynamic data for mineral technology: U.S. Bur. Mines Bull. 677, 355 p. B689: Pankratz, L. B., Mah, A. D., and Watson, S. W., 1987, Thermodynamic properties of sulfides: U.S. Bur. Mines Bull. 689, 427 p. BA73: Barin, I., and Knacke, O., 1973, Thermochemical properties of inorganic substances: Berlin, Springer-Verlag, 921 p. BA77: Barin, I., Knacke, O., and Kubaschewski, O., 1977, Thermochemical properties of inorganic substances (supplement): Berlin, Springer-Verlag, 861 p. BE85: Berman, R. G., and Brown, T. H., 1985, Heat Capacity of minerals in the system Na2O-K2O-CaO- MgO-FeO-Fe2O3-Al2O3-SiO2-TiO2-H2O-CO2: representation, estimation, and high temperature extrapolation: Contr. Mineralogy Petrology, v. 89, p. 168-183. BE88: Berman, R. G., 1988, Internally-Consistent Thermodynamic data for minerals in the system Na2O-K2O-CaO-MgO-FeO-Fe2O3-Al2O3-SiO2-TiO2-H2O-CO2: Jour. Petrology, v. 29, p. 445-522. DE82: DeKock, C. W., 1982, Thermodynamic properties of selected transition metal sulfates and their hydrates: U.S. Bur. Mines Inform. circ. 8910, 45 p. HEL: Helgeson, H. C., Delaney, J. M., Nesbitt, H. W., and Bird, D. K., 1978, Summary and Critique of the Thermodynamic properties of rock-forming minerals: Am. Jour. Sci., v. 278-A, p. 1-229. JA71: Stull, D. R., and Prophet, H., 1971, Janaf thermochemical tables, 2d ed.: Natl. Bur. Standards, Natl. Standards Ref. Data Ser., NBS37, 1141 p. JA74: Chase, M. W., Curnutt, J. L., Hu, A. T., Prophet, H., Syverud, A. N., and Walker, L. C., 1974, Janaf thermochemical tables, 1974 supplement: Jour. Phys. and Chem. Reference Data, v. 3, p. 311-480. JA75: Chase, M. W., Curnutt, J. L., Prophet, H., McDonald, R. A., and Syverud, A. N., 1975, Janaf thermochemical tables, 1975 supplement: Jour. Phys. and Chem. Reference Data, v. 4, p. 1-175. JA78: Chase, M. W., Jr., Curnutt, J. L., McDonald, R. A., and Syverud, A. N., 1978, Janaf thermochemical tables, 1978 supplement: Jour. Phys. and Chem. Reference Data, v. 7, p. 793-940. JA82: Chase, M. W., Jr., Curnutt, J. L., Downey, J. R., McDonald, R. A., Syverud, A. N., and Valenzuela, E. A., 1982, Janaf thermochemical tables, 1982 supplement: Jour. Phys. and Chem. Reference Data, v. 11, p. 695-940. RO78: Robie, R. A., Hemingway, B. S., and Fisher, J. R., 1978, Thermodynamic properties of minerals and related substances at 298.15 K and 1 bar (105 pascals) pressure and at higher Temperatures: U.S. Geol. Survey Bull. 1452, 456 p. The following solid solutions indexes are currently in use: 1. Diopside-hedenbergite-jadeite 2. Orthoenstatie - ferrosilite 3. Forsterite-fayalite-tephroite-Ni2SiO4 4. Anorthite-(hi-albite)-sanidine 5. Magnetite-ulvospinel *7. Ilmenite-hematite-MgTiO3 8. MnWO4 - FeWO4 9. CdS-wurtzite(ZnS) * = not currently in use A star * as 8th character of a name means that data is not very good A non blank character ($) in the 16th column before itot will cause the name to be skipped ======================================================================== Component Molecular Atomic Species Weight Element Weight ************************************************************************ H2 2.0158 H 1.0079 1 H2O 18.0152 O 15.9994 2 CO2 44.0098 C 12.011 3 H2S(g) 34.0758 S 32.06 4 HCl 36.4609 Cl 35.453 5 HF 20.0063 F 18.9984 6 HBr 80.9119 Br 79.904 7 NaCl 58.4428 Na 22.9898 8 KCl 74.5513 K 39.0983 9 FeCl2 126.753 Fe 55.847 10 ZnCl2 136.286 Zn 65.38 11 Cd 112.4100 Cd 112.41 12 AlF3 83.9767 Al 26.9815 13 CuCl 98.999 Cu 63.546 14 BiCl3 315.3394 Bi 208.9804 15 PbCl2 278.1060 Pb 207.2 16 H2MoO4 161.9534 Mo 95.94 17 H2WO4 249.8634 W 183.85 18 AsCl3 181.2806 As 74.9216 19 SbCl3 228.109 Sb 121.75 20 SiF4 104.0791 Si 28.0855 21 MgCl2 95.2110 Mg 24.305 22 CaCl2 110.9860 Ca 40.08 23 TiF4 123.8736 Ti 47.88 24 CrCl4 193.8080 Cr 51.996 25 CoCl2 129.8392 Co 58.9332 26 NiCl2 129.5960 Ni 58.69 27 MnCl2 125.8440 Mn 54.9380 28 VCl4 192.7535 V 50.9415 29 SrCl2 158.5260 Sr 87.62 30 GaCl3 176.0790 Ga 69.72 31 LiCl 42.3940 Li 6.941 32 RbCl 120.9208 Rb 85.4678 33 CsCl 168.3584 Cs 132.9054 34 H2Se 80.9758 Se 78.96 35 H2Te 129.6158 Te 127.60 36 N2 28.0134 N 14.0067 37 SnCl2 189.5960 Sn 118.69 38 AgCl 143.3210 Ag 107.868 39 Au 196.9665 Au 196.9665 40 Hg 200.59 Hg 200.59 41 Ir 192.22 Ir 192.22 42 O2 3 -2.000 1 2.000 2 O2 80.092 63.038 48.659 39.260 32.628 27.695 23.879 20.838 B672 O2 18.356 16.293 14.550 13.057 11.765 O2 0.4413789E+01 0.2484154E+05 0.3258344E-03 0.6035634E+04-0.3154572E+01 Ag 4 0.500 1-1.000 5 1.00039 Ag 13.125 10.105 7.569 5.921 4.763 3.905 3.245 2.720 B672 Ag 2.294 1.940 1.641 1.386 1.165 Ag -0.3062846E+01 0.4559020E+04-0.7884502E-04-0.5089081E+04 0.3950707E+00 AgBr 4 -1.000 5 1.000 7 1.00039 AgBr -4.046 -3.247 -2.578 -2.145 -1.840 -1.615 -1.442 -1.304*BA73 AgBr -1.192 -1.099 -1.021 -0.954 -0.896 AgBr 0.5136875E-02-0.1168924E+04 0.1023929E-04-0.3464148E+04-0.3825183E-01 AgS 5 -0.500 1 1.000 4-1.000 5 1.00039 AgS 35.037 27.462 21.077 16.906 13.968 11.784 10.098 8.756 B689 AgS 7.663 6.756 5.991 5.338 4.773 AgS 0.3808532E+00 0.1113972E+05 0.1884341E-03-0.6475669E+04-0.1087102E+01 Al 4 1.500 1-3.000 6 1.00013 Al 115.132 89.757 68.446 54.586 44.858 37.657 32.115 27.720 B672 Al 24.151 21.196 18.709 16.589 14.760 Al -0.1702167E+02 0.3816937E+05-0.1983193E-04-0.4314625E+05 0.1868807E+01 AlBr 5 1.000 1-3.000 6 1.000 7 1.00013 AlBr 69.573 53.966 40.862 32.344 26.370 21.952 18.554 15.863 B674 AlBr 13.679 11.874 10.356 9.064 7.951 AlBr -0.1282631E+02 0.2358290E+05 0.4909722E-04-0.3496304E+05 0.1487434E+01 AlBr3 4 -3.000 6 3.000 7 1.00013 AlBr3 15.819 12.648 9.963 8.204 6.963 6.041 5.330 4.765 B674 AlBr3 4.307 3.928 3.609 3.338 3.106 AlBr3 0.1767635E+01 0.4753513E+04 0.2228180E-03-0.2085743E+05-0.6966575E+00 (AlBr3)2 4 -6.000 6 6.000 7 2.00013 (AlBr3)2 19.176 16.910 14.921 13.571 12.590 11.842 11.252 10.773 B674 (AlBr3)2 10.377 10.044 9.759 9.514 9.301 (AlBr3)2 0.1735270E+02 0.3174018E+04 0.4523266E-03-0.4275760E+05-0.3425562E+01 AlC 6 3.500 1-2.000 2 1.000 3-3.000 6 1.00013 AlC 164.390 129.540 100.315 81.340 68.042 58.214 50.661 44.678 B677 AlC 39.825 35.811 32.438 29.564 27.087 AlC -0.2435978E+02 0.5275629E+05-0.2797409E-03-0.5924113E+05 0.5073552E+01 AlCl 5 1.000 1 1.000 5-3.000 6 1.00013 AlCl 67.564 52.360 39.596 31.300 25.481 21.178 17.870 15.249 B674 AlCl 13.122 11.364 9.886 8.628 7.544 AlCl -0.1269875E+02 0.2296266E+05 0.4688158E-04-0.3216762E+05 0.1452237E+01 AlClF 5 0.500 1 1.000 5-2.000 6 1.00013 AlClF 41.490 32.088 24.194 19.063 15.464 12.803 10.757 9.136 JA78 AlClF 7.821 6.735 5.822 5.045 4.376 AlClF -0.7646513E+01 0.1417051E+05 0.8267019E-04-0.1819933E+05 0.7227851E+00 AlClF2 4 1.000 5-1.000 6 1.00013 AlClF2 4.972 3.887 2.970 2.369 1.945 1.629 1.385 1.191 JA78 AlClF2 1.033 0.902 0.792 0.698 0.618 AlClF2 0.9392925E+00 0.1544351E+04 0.1060241E-03 0.1209492E+04-0.4818398E+00 AlCl2 5 0.500 1 2.000 5-3.000 6 1.00013 AlCl2 46.778 36.379 27.643 21.962 17.976 15.027 12.759 10.963 B674 AlCl2 9.505 8.300 7.288 6.427 5.685 AlCl2 -0.6889904E+01 0.1565279E+05 0.1381394E-03-0.2173734E+05 0.5542940E+00 AlCl2F 4 2.000 5-2.000 6 1.00013 AlCl2F 9.744 7.692 5.956 4.819 4.017 3.420 2.960 2.593 JA78 AlCl2F 2.296 2.049 1.842 1.665 1.513 AlCl2F 0.9074191E+00 0.3033814E+04 0.1323511E-03-0.8325895E+04-0.5191829E+00 AlCl3 4 3.000 5-3.000 6 1.00013 AlCl3 14.683 11.740 9.250 7.620 6.471 5.616 4.957 4.433 B674 AlCl3 4.007 3.654 3.358 3.105 2.888 AlCl3 0.1565471E+01 0.4387383E+04 0.1683038E-03-0.1479565E+05-0.5987304E+00 (AlCl3)2 4 6.000 5-6.000 6 2.00013 (AlCl3)2 15.228 13.780 12.489 11.599 10.942 10.435 10.029 9.696 B674 (AlCl3)2 9.418 9.182 8.978 8.801 8.646 (AlCl3)2 0.1766201E+02 0.1834422E+04 0.3806913E-03-0.2277462E+05-0.3412497E+01 AlF 4 1.000 1-2.000 6 1.00013 AlF 61.725 47.659 35.781 28.007 22.517 18.428 15.263 12.737 B674 AlF 10.674 8.955 7.500 6.253 5.170 AlF -0.3006063E+01 0.2077120E+05-0.9796193E-05-0.2918438E+05-0.1860905E+01 AlFO 4 1.000 2-2.000 6 1.00013 AlFO 50.627 39.192 29.567 23.290 18.873 15.595 13.066 11.056 JA78 AlFO 9.421 8.064 6.921 5.945 5.102 AlFO -0.3864631E+01 0.1690722E+05 0.1923050E-03-0.8357956E+04-0.8805126E+00 AlF2 4 0.500 1-1.000 6 1.00013 AlF2 37.572 29.019 21.844 17.184 13.918 11.504 9.649 8.180 B674 AlF2 6.989 6.004 5.177 4.473 3.867 AlF2 -0.8037113E+01 0.1291874E+05 0.1314336E-04-0.1445428E+05 0.9853384E+00 AlF2O 5 -0.500 1 1.000 2-1.000 6 1.00013 AlF2O 8.918 6.420 4.295 2.893 1.895 1.147 0.565 0.099 JA78 AlF2O -0.283 -0.602 -0.872 -1.104 -1.304 AlF2O 0.1437463E+01 0.3470858E+04 0.2365732E-03 0.2040260E+04-0.1719296E+01 (AlF3)2 2 2.00013 (AlF3)2 -27.360 -20.124 -14.073 -10.160 -7.429 -5.419 -3.881 -2.670 B674 (AlF3)2 -1.691 -0.886 -0.214 0.357 0.845 (AlF3)2 0.1464144E+02-0.1112705E+05-0.7921617E-06 0.1781982E+05-0.1972736E+01 AlH 4 2.000 1-3.000 6 1.00013 AlH 104.981 82.094 62.888 50.407 41.654 35.179 30.198 26.250 B677 AlH 23.045 20.393 18.162 16.260 14.619 AlH -0.1649728E+02 0.3450938E+05-0.1298858E-03-0.3528241E+05 0.2493057E+01 HAlO 5 1.000 1 1.000 2-3.000 6 1.00013 HAlO 109.388 85.934 66.241 53.429 44.431 37.766 32.631 28.553 JA71 HAlO 25.238 22.490 20.175 18.199 16.492 HAlO -0.9257630E+01 0.3488547E+05-0.2852483E-04-0.5714673E+02 0.6661775E+00 AlH2 4 2.500 1-3.000 6 1.00013 AlH2 104.927 82.478 63.655 51.435 42.870 36.538 31.670 27.813 B677 AlH2 24.682 22.091 19.912 18.054 16.452 AlH2 -0.1680648E+02 0.3393447E+05-0.3003117E-03-0.2969040E+05 0.3370611E+01 AlH3 4 3.000 1-3.000 6 1.00013 AlH3 101.872 80.805 63.163 51.720 43.704 37.781 33.227 29.618 B677 AlH3 26.688 24.261 22.220 20.478 18.975 AlH3 -0.1368290E+02 0.3175401E+05-0.4828998E-03-0.2839549E+04 0.3729122E+01 AlO 5 0.500 1 1.000 2-3.000 6 1.00013 AlO 111.982 87.279 66.518 53.005 43.511 36.478 31.060 26.760 B672 AlO 23.264 20.367 17.928 15.846 14.049 AlO -0.1384481E+02 0.3698590E+05 0.2071280E-04-0.3522459E+05 0.8751820E+00 (AlO)2 5 1.000 1 2.000 2-6.000 6 2.00013 (AlO)2 132.063 102.806 78.200 62.173 50.907 42.558 36.125 31.018 B672 (AlO)2 26.867 23.428 20.533 18.064 15.933 (AlO)2 -0.1329916E+02 0.4366035E+05 0.3328981E-03-0.4364085E+05-0.2762906E+00 AlOCl 5 1.000 2 1.000 5-3.000 6 1.00013 AlOCl 59.898 46.612 35.425 28.129 22.994 19.183 16.244 13.908 JA71 AlOCl 12.007 10.430 9.102 7.968 6.989 AlOCl -0.3741996E+01 0.1970100E+05 0.2207995E-03-0.1702319E+05-0.9342557E+00 AlOH 5 1.000 1 1.000 2-3.000 6 1.00013 AlOH 71.954 56.018 42.651 33.969 27.881 23.378 19.916 17.171 JA71 AlOH 14.943 13.098 11.547 10.225 9.085 AlOH -0.1259501E+02 0.2397011E+05-0.1018419E-03-0.1448623E+05 0.1756485E+01 AlO2 5 -0.500 1 2.000 2-3.000 6 1.00013 AlO2 111.044 86.840 66.459 53.161 43.798 36.845 31.479 27.211 B672 AlO2 23.735 20.850 18.418 16.339 14.543 AlO2 -0.3171765E+01 0.3571691E+05 0.3621334E-03-0.1562099E+05-0.2227398E+01 AlO2H 4 2.000 2-3.000 6 1.00013 AlO2H 66.263 51.665 39.385 31.380 25.749 21.570 18.346 15.783 JA71 AlO2H 13.697 11.966 10.507 9.261 8.184 AlO2H -0.3617904E+01 0.2153549E+05 0.1725994E-03-0.2098445E+03-0.9693145E+00 AlS 5 0.500 1 1.000 4-3.000 6 1.00013 AlS 102.505 79.754 60.632 48.186 39.444 32.969 27.982 24.025 B689 AlS 20.810 18.146 15.904 13.991 12.340 AlS -0.1428953E+02 0.3417008E+05 0.2456928E-04-0.4351462E+05 0.1078918E+01 (AlS)2 5 1.000 1 2.000 4-6.000 6 2.00013 (AlS)2 149.003 116.415 89.009 71.161 58.620 49.329 42.174 36.497 B689 (AlS)2 31.885 28.066 24.853 22.115 19.754 (AlS)2 -0.1425392E+02 0.4878086E+05 0.4341302E-03-0.6276453E+05 0.8961758E-01 Al2O 5 2.000 1 1.000 2-6.000 6 2.00013 Al2O 141.034 109.576 83.145 65.949 53.877 44.941 38.063 32.609 B672 Al2O 28.181 24.515 21.431 18.803 16.537 Al2O -0.2169737E+02 0.4733811E+05 0.1229084E-03-0.6438998E+05 0.1877697E+01 Al2S 5 2.000 1 1.000 4-6.000 6 2.00013 Al2S 165.549 129.189 98.637 78.758 64.801 54.470 46.518 40.212 B689 Al2S 35.091 30.852 27.287 24.248 21.628 Al2S -0.2210556E+02 0.5469917E+05 0.1725922E-03-0.7503552E+05 0.2014706E+01 As 4 1.500 1-3.000 5 1.00019 As 39.100 29.033 20.608 15.150 11.334 8.520 6.361 4.655*B672 As 3.273 2.132 1.174 0.359 -0.343 As -0.1910008E+02 0.1544404E+05-0.2313684E-03-0.2373039E+05 0.2722406E+01 AsBr3 4 3.000 7 1.00019-3.000 5 AsBr3 -6.365 -5.101 -4.044 -3.358 -2.876 -2.518 -2.241 -2.021*B674 AsBr3 -1.842 -1.692 -1.565 -1.457 -1.362 AsBr3 -0.4630808E+00-0.1789795E+04 0.2332556E-04-0.1154197E+05 0.9051065E-01 AsF3 4 3.000 6 1.00019-3.000 5 AsF3 3.219 2.572 2.047 1.715 1.485 1.317 1.187 1.083*B674 AsF3 0.997 0.925 0.863 0.808 0.759 AsF3 -0.1839469E+01 0.9335672E+03-0.2381443E-03 0.1742879E+05 0.7283418E+00 AsF5 5 -1.000 1 5.000 6 1.00019-3.000 5 AsF5 29.794 25.774 22.388 20.165 18.583 17.394 16.464 15.714 BA77 AsF5 15.095 14.573 14.127 13.740 13.400 AsF5 0.1887944E+02 0.5123209E+04 0.6365953E-04 0.7171040E+05-0.2867102E+01 AsH3 4 3.000 1 1.00019-3.000 5 AsH3 5.588 3.832 2.441 1.594 1.035 0.645 0.362 0.148 BA73 AsH3 -0.017 -0.149 -0.255 -0.344 -0.419 AsH3 -0.1703727E+02 0.3191725E+04-0.6505199E-03 0.7221339E+04 0.4862876E+01 AsS 5 0.500 1 1.000 4 1.00019-3.000 5 AsS 23.361 16.522 10.785 7.059 4.448 2.519 1.037 -0.136 B689 AsS -1.087 -1.872 -2.530 -3.091 -3.572 AsS -0.1250913E+02 0.1029281E+05 0.8981549E-04-0.9044297E+04 0.5750250E+00 As2 4 3.000 1-6.000 5 2.00019 As2 16.802 10.143 4.630 1.106 -1.324 -3.091 -4.428 -5.471*B672 As2 -6.304 -6.982 -7.545 -8.017 -8.419 As2 -0.3318624E+02 0.1086021E+05-0.4090791E-03-0.3412242E+05 0.5685639E+01 As3 4 4.500 1-9.000 5 3.00019 As3 15.592 8.064 1.844 -2.120 -4.845 -6.820 -8.309 -9.466*B672 As3 -10.388 -11.137 -11.756 -12.275 -12.715 As3 -0.4552397E+02 0.1259637E+05-0.6495074E-03-0.5803997E+05 0.7967102E+01 As4 4 6.000 1-12.00 5 4.00019 As4 -8.915 -12.077 -14.590 -16.110 -17.097 -17.768 -18.240 -18.581*B672 As4 -18.833 -19.020 -19.161 -19.269 -19.351 As4 -0.5570508E+02 0.6524930E+04-0.8429330E-03-0.6858274E+05 0.1047842E+02 As4O6 4 4.00019 6.000 2-12.00 5 As4O6 22.786 15.967 10.176 6.353 3.628 1.579 -0.024 -1.316*B672 As4O6 -2.382 -3.278 -4.045 -4.709 -5.290 As4O6 0.3398634E+00 0.9413201E+04 0.1847941E-04 0.2548204E+05-0.3806154E+01 As4S4 5 2.000 1 4.000 4 4.00019-12.00 5 As4S4 -12.194 -12.869 -13.456 -13.841 -14.108 -14.300 -14.442 -14.549 B689 As4S4 -14.631 -14.694 -14.742 -14.780 -14.808 As4S4 -0.1826605E+02 0.1485842E+04 0.1986645E-03-0.6016632E+05 0.6894848E+00 AuS 4 -1.000 1 1.000 4 1.00040 AuS -20.839 -16.789 -13.408 -11.221 -9.692 -8.565 -7.699 -7.013 B689 AuS -6.456 -5.995 -5.606 -5.274 -4.986 AuS 0.3488453E+01-0.6192063E+04 0.2646631E-03 0.2199059E+03-0.1471254E+01 Bi 4 1.500 1-3.000 5 1.00015 Bi 24.101 17.237 11.512 7.815 5.239 3.345 1.897 0.755*B672 Bi -0.168 -0.928 -1.564 -2.105 -2.569 Bi -0.1804795E+02 0.1062002E+05-0.2334297E-03-0.1180631E+05 0.2720447E+01 BiBr3 4 3.000 7 1.00015-3.000 5 BiBr3 -9.972 -7.881 -6.126 -4.983 -4.179 -3.582 -3.121 -2.754*B674 BiBr3 -2.455 -2.206 -1.996 -1.816 -1.660 BiBr3 -0.1166798E+00-0.3032313E+04 0.5966028E-05-0.7534108E+04 0.1608826E+00 BiCl 4 1.000 1-2.000 5 1.00015 BiCl 11.178 7.472 4.395 2.421 1.053 0.053 -0.708 -1.304*BA77 BiCl -1.782 -2.175 -2.502 -2.778 -3.014 BiCl -0.1411284E+02 0.5862483E+04-0.1806224E-03-0.7910157E+04 0.2332187E+01 BiF 5 1.000 1 1.000 6 1.00015-3.000 5 BiF 33.226 25.068 18.253 13.846 10.768 8.501 6.763 5.390 BA77 BiF 4.278 3.361 2.592 1.937 1.373 BiF -0.1436496E+02 0.1245287E+05-0.2171169E-03-0.4663204E+04 0.2400969E+01 BiF3 4 3.000 6 1.00015-3.000 5 BiF3 17.586 14.062 11.111 9.192 7.844 6.844 6.072 5.458*B674 BiF3 4.956 4.539 4.187 3.884 3.621 BiF3 -0.1748211E-01 0.5136073E+04-0.1060446E-03 0.1539539E+05 0.9512253E-01 BiS 5 0.500 1 1.000 4 1.00015-3.000 5 BiS 21.559 15.241 9.951 6.525 4.129 2.364 1.011 -0.058 B689 BiS -0.922 -1.635 -2.231 -2.738 -3.173 BiS -0.1418857E+02 0.9665010E+04-0.1601462E-04-0.1485943E+05 0.1415658E+01 (BiS)2 5 1.000 1 2.000 4 2.00015-6.000 5 (BiS)2 22.370 15.577 9.894 6.217 3.650 1.761 0.315 -0.826 B689 (BiS)2 -1.746 -2.503 -3.136 -3.672 -4.132 (BiS)2 -0.1665771E+02 0.1043134E+05 0.2786287E-04-0.1724983E+05 0.1708131E+01 Bi2 4 3.000 1-6.000 5 2.00015 Bi2 19.422 12.537 6.845 3.211 0.706 -1.116 -2.493 -3.568*B672 Bi2 -4.426 -5.126 -5.706 -6.194 -6.609 Bi2 -0.3209457E+02 0.1114351E+05-0.4490027E-03-0.2188527E+05 0.5868458E+01 Bi2S3 4 3.000 4 2.00015-6.000 5 Bi2S3 26.914 19.176 12.650 8.389 5.389 3.163 1.447 0.085 B689 Bi2S3 -1.022 -1.938 -2.708 -3.364 -3.929 Bi2S3 -0.9147141E+01 0.1151456E+05 0.3254561E-03-0.2318743E+05-0.9679390E+00 Br 3 -0.500 1 1.000 7 Br 23.797 18.570 14.163 11.283 9.251 7.739 6.570 5.637 B672 Br 4.877 4.244 3.709 3.250 2.853 Br 0.1495930E-01 0.7653632E+04 0.4364738E-04-0.9214920E+03-0.7642241E+00 BrCl 4 -1.000 1 1.000 5 1.000 7 BrCl 25.889 20.835 16.573 13.785 11.817 10.352 9.219 8.315 B674 BrCl 7.577 6.963 6.445 6.001 5.616 BrCl 0.4150415E+01 0.7311923E+04 0.1285760E-03 0.5101622E+04-0.1164506E+01 BrF 4 -1.000 1 1.000 6 1.000 7 BrF 44.660 35.813 28.368 23.509 20.085 17.542 15.576 14.010 B674 BrF 12.734 11.673 10.777 10.011 9.347 BrF 0.4363720E+01 0.1287523E+05 0.1183999E-03 0.1352928E+05-0.1242705E+01 BrF3 4 -2.000 1 3.000 6 1.000 7 BrF3 113.901 92.740 74.926 63.295 55.095 48.996 44.280 40.521 B674 BrF3 37.453 34.901 32.743 30.895 29.293 BrF3 0.1875897E+02 0.3068146E+05 0.2004737E-03 0.4093367E+05-0.3347977E+01 BrF5 4 -3.000 1 5.000 6 1.000 7 BrF5 189.003 154.685 125.790 106.918 93.607 83.702 76.038 69.927 B674 BrF5 64.936 60.781 57.267 54.254 51.641 BrF5 0.3646169E+02 0.4959901E+05 0.2713684E-03 0.7869524E+05-0.5973400E+01 BrSF5 5 -4.000 1 1.000 4 5.000 6 1.000 7 BrSF5 100.723 84.831 71.408 62.599 56.351 51.676 48.037 45.118 JA82 BrSF5 42.721 40.715 39.009 37.540 36.259 BrSF5 0.4468864E+02 0.2186929E+05 0.3819344E-03 0.1091050E+06-0.7539781E+01 Br2 3 -1.000 1 2.000 7 Br2 19.272 15.614 12.522 10.497 9.064 7.996 7.169 6.509 B672 Br2 5.969 5.520 5.140 4.815 4.534 Br2 0.4536400E+01 0.5251866E+04 0.1478840E-03 0.3061569E+04-0.1195312E+01 C 4 2.000 1 1.000 3-2.000 2 C 106.599 84.547 66.046 54.024 45.592 39.354 34.555 30.749 B672 C 27.659 25.100 22.947 21.110 19.524 C -0.1083882E+02 0.3322868E+05-0.2332292E-03-0.2827210E+05 0.2576678E+01 CBr 5 1.500 1-2.000 2 1.000 3 1.000 7 CBr 79.870 63.798 50.318 41.562 35.424 30.885 27.395 24.629 B674 CBr 22.385 20.527 18.965 17.633 16.485 CBr -0.6384870E+01 0.2426505E+05-0.1423868E-03-0.2286257E+05 0.2089005E+01 CBrF3 5 -2.000 2 1.000 3 3.000 6 1.000 7 CBrF3 34.016 29.908 26.484 24.267 22.712 21.559 20.669 19.958 JA71 CBrF3 19.378 18.893 18.482 18.128 17.819 CBrF3 0.1275183E+02 0.5876003E+04-0.3008242E-03 0.4200851E+05 0.4741143E+00 CBr4 4 -2.000 2 1.000 3 4.000 7 CBr4 37.878 33.122 29.111 26.488 24.636 23.256 22.187 21.334*B674 CBr4 20.636 20.055 19.563 19.141 18.775 CBr4 0.1733453E+02 0.6858939E+04 0.5153740E-04 0.8631647E+04-0.1040199E+01 CCl 5 1.500 1-2.000 2 1.000 3 1.000 5 CCl 88.053 70.310 55.434 45.775 39.005 33.999 30.150 27.100 B674 CCl 24.624 22.575 20.852 19.382 18.115 CCl -0.7321016E+01 0.2674515E+05-0.1951776E-03-0.1674440E+05 0.2391235E+01 CClF3 5 -2.000 2 1.000 3 1.000 5 3.000 6 CClF3 33.514 29.516 26.190 24.038 22.530 21.412 20.549 19.861 JA71 CClF3 19.298 18.828 18.429 18.085 17.785 CClF3 0.1264024E+02 0.5688838E+04-0.3250770E-03 0.4722107E+05 0.5492209E+00 CCl2 5 1.000 1-2.000 2 1.000 3 2.000 5 CCl2 62.260 50.549 40.737 34.370 29.909 26.610 24.074 22.063 B674 CCl2 20.430 19.077 17.938 16.966 16.126 CCl2 -0.2279422E+01 0.1770440E+05-0.3142909E-03-0.8984125E+04 0.2163477E+01 CCl2F2 5 -2.000 2 1.000 3 2.000 5 2.000 6 CCl2F2 39.571 34.323 29.934 27.084 25.081 23.595 22.446 21.530 JA71 CCl2F2 20.781 20.157 19.629 19.174 18.779 CCl2F2 0.1401147E+02 0.7507548E+04-0.2109398E-03 0.4190731E+05-0.1185956E-01 CCl3 5 0.500 1-2.000 2 1.000 3 3.000 5 CCl3 55.280 45.912 38.057 32.952 29.368 26.715 24.671 23.048 B674 CCl3 21.728 20.634 19.712 18.925 18.244 CCl3 0.7762866E+01 0.1385453E+05-0.5713868E-04 0.1462961E+05 0.3642357E+00 CCl3F 5 -2.000 2 1.000 3 3.000 5 1.000 6 CCl3F 43.641 37.614 32.560 29.270 26.954 25.233 23.903 22.842 JA71 CCl3F 21.975 21.253 20.641 20.117 19.661 CCl3F 0.1570001E+02 0.8628659E+04-0.9825802E-04 0.3652856E+05-0.5582118E+00 CCl4 4 -2.000 2 1.000 3 4.000 5 CCl4 45.163 38.961 33.747 30.347 27.950 26.168 24.789 23.689 B674 CCl4 22.791 22.043 21.410 20.867 20.396 CCl4 0.1725717E+02 0.8915331E+04-0.6463422E-05 0.2511258E+05-0.9201428E+00 CF 5 1.500 1-2.000 2 1.000 3 1.000 6 CF 76.428 61.008 48.088 39.706 33.835 29.497 26.164 23.524 B674 CF 21.382 19.610 18.121 16.851 15.756 CF -0.8346652E+01 0.2334514E+05-0.2539500E-03-0.1739399E+05 0.2726326E+01 CF2 5 1.000 1-2.000 2 1.000 3 2.000 6 CF2 51.919 42.277 34.217 29.001 25.353 22.662 20.597 18.963 B674 CF2 17.638 16.543 15.622 14.838 14.161 CF2 -0.3097621E+01 0.1461813E+05-0.2871970E-03 0.1215145E+04 0.2448718E+01 CF3 5 0.500 1-2.000 2 1.000 3 3.000 6 CF3 53.690 44.577 36.964 32.034 28.582 26.032 24.071 22.516 B674 CF3 21.252 20.205 19.323 18.568 17.916 CF3 0.3899347E+01 0.1355128E+05-0.3114167E-03 0.2858240E+05 0.1661289E+01 CF3OF 5 -1.000 1-1.000 2 1.000 3 4.000 6 CF3OF 98.026 81.135 66.953 57.716 51.215 46.386 42.654 39.681 JA71 CF3OF 37.255 35.235 33.527 32.062 30.792 CF3OF 0.1762865E+02 0.2453617E+05-0.2338503E-03 0.5797121E+05-0.1002120E+01 CF4 4 -2.000 2 1.000 3 4.000 6 CF4 26.324 23.890 21.888 20.605 19.711 19.052 18.545 18.141 B674 CF4 17.811 17.535 17.300 17.097 16.919 CF4 0.1195511E+02 0.3416863E+04-0.3603037E-03 0.4923275E+05 0.9950547E+00 CH 4 2.500 1-2.000 2 1.000 3 CH 87.237 69.508 54.654 45.019 38.271 33.287 29.459 26.427 B677 CH 23.968 21.933 20.223 18.766 17.509 CH -0.1172863E+02 0.2696691E+05-0.3672448E-03-0.3055682E+05 0.3625646E+01 CHCl 5 2.000 1 1.000 3 1.000 5-2.000 2 CHCl 61.598 49.761 39.870 33.471 29.000 25.701 23.169 21.164 JA71 CHCl 19.538 18.192 17.059 16.092 15.257 CHCl -0.8871780E+01 0.1812250E+05-0.6350139E-03-0.8358598E+04 0.4029271E+01 CHClF2 6 1.000 1-2.000 2 1.000 3 1.000 5 2.000 6 CHClF2 23.267 20.934 19.033 17.830 17.002 16.399 15.939 15.576 JA71 CHClF2 15.282 15.038 14.831 14.654 14.499 CHClF2 0.5574034E+01 0.3481928E+04-0.5030957E-03 0.4237820E+05 0.2298656E+01 CHCl2F 6 1.000 1-2.000 2 1.000 3 2.000 5 1.000 6 CHCl2F 26.346 23.398 20.973 19.425 18.353 17.567 16.965 16.490 JA71 CHCl2F 16.105 15.785 15.515 15.283 15.082 CHCl2F 0.6535104E+01 0.4376038E+04-0.4207897E-03 0.3856764E+05 0.1950050E+01 CHCl3 5 1.000 1-2.000 2 1.000 3 3.000 5 CHCl3 26.749 23.828 21.417 19.871 18.797 18.009 17.405 16.926 JA71 CHCl3 16.538 16.216 15.944 15.711 15.509 CHCl3 0.8217789E+01 0.4319859E+04-0.3322418E-03 0.3260968E+05 0.1525430E+01 CHF 5 2.000 1 1.000 3 1.000 6-2.000 2 CHF 56.575 45.733 36.684 30.837 26.757 23.753 21.451 19.633 JA71 CHF 18.162 16.947 15.927 15.060 14.312 CHF -0.8539028E+01 0.1663669E+05-0.4328427E-03-0.7471653E+04 0.3850346E+01 CHFO 5 1.000 1 1.000 3 1.000 6-1.000 2 CHFO 12.792 11.113 9.751 8.898 8.318 7.900 7.585 7.340 JA71 CHFO 7.144 6.983 6.849 6.735 6.636 CHFO -0.2747693E+01 0.2718500E+04-0.4186812E-03 0.1631209E+05 0.2571612E+01 CHF3 5 1.000 1-2.000 2 1.000 3 3.000 6 CHF3 17.654 16.543 15.682 15.166 14.827 14.589 14.413 14.277 JA71 CHF3 14.168 14.078 14.002 13.936 13.877 CHF3 0.3811388E+01 0.1747004E+04-0.6408608E-03 0.4611039E+05 0.3093905E+01 CH2 4 3.000 1-2.000 2 1.000 3 CH2 53.685 43.281 34.602 29.000 25.095 22.223 20.025 18.291 B677 CH2 16.889 15.733 14.764 13.939 13.230 CH2 -0.1087725E+02 0.1612010E+05-0.4758359E-03-0.1762576E+05 0.4378937E+01 CH2ClF 6 2.000 1 1.000 3 1.000 5 1.000 6-2.000 2 CH2ClF 12.483 12.052 11.777 11.655 11.604 11.586 11.585 11.593 JA71 CH2ClF 11.605 11.617 11.630 11.641 11.651 CH2ClF -0.2042753E+01 0.1011992E+04-0.7428325E-03 0.3126243E+05 0.4446060E+01 CH2Cl2 5 2.000 1 1.000 3 2.000 5-2.000 2 CH2Cl2 10.305 10.383 10.527 10.672 10.804 10.920 11.022 11.110 JA71 CH2Cl2 11.187 11.254 11.312 11.362 11.406 CH2Cl2 -0.3112640E-01 0.1931281E+03-0.6273509E-03 0.2973778E+05 0.3855822E+01 CH2F2 5 2.000 1 1.000 3 2.000 6-2.000 2 CH2F2 11.366 11.213 11.182 11.226 11.294 11.369 11.440 11.506 JA71 CH2F2 11.565 11.618 11.664 11.704 11.739 CH2F2 -0.3357797E+01 0.6506007E+03-0.8453120E-03 0.3452965E+05 0.5013451E+01 CH2O 4 2.000 1-1.000 2 1.000 3 CH2O 9.791 8.563 7.599 7.020 6.643 6.384 6.197 6.058 JA71 CH2O 5.951 5.867 5.799 5.743 5.695 CH2O -0.8278055E+01 0.2343071E+04-0.5949559E-03 0.2978802E+04 0.4184525E+01 CH3 4 3.500 1-2.000 2 1.000 3 CH3 14.914 12.998 11.472 10.541 9.927 9.501 9.191 8.959 B677 CH3 8.780 8.639 8.525 8.432 8.354 CH3 -0.1103363E+02 0.3663073E+04-0.7118897E-03-0.1329430E+05 0.5667362E+01 CH3Cl 5 3.000 1-2.000 2 1.000 3 1.000 5 CH3Cl -4.852 -1.928 0.635 2.376 3.645 4.615 5.381 6.003 JA74 CH3Cl 6.517 6.949 7.317 7.634 7.909 CH3Cl -0.7462754E+01-0.3670518E+04-0.9087210E-03 0.1802683E+05 0.6057968E+01 CH3F 5 3.000 1-2.000 2 1.000 3 1.000 6 CH3F 0.380 2.239 3.916 5.088 5.959 6.637 7.179 7.624 JA71 CH3F 7.995 8.308 8.576 8.807 9.008 CH3F -0.9161363E+01-0.2027932E+04-0.1014404E-02 0.1960048E+05 0.6637964E+01 CH4 4 4.000 1-2.000 2 1.000 3 CH4 -19.891 -14.023 -8.967 -5.587 -3.155 -1.314 0.129 1.293 B677 CH4 2.251 3.054 3.737 4.324 4.833 CH4 -0.1286940E+02-0.7731752E+04-0.1100509E-02 0.4447266E+04 0.7754935E+01 CO 4 1.000 1 1.000 3-1.000 2 CO 5.017 3.573 2.377 1.616 1.094 0.718 0.436 0.218 B672 CO 0.046 -0.093 -0.207 -0.301 -0.380 CO -0.7767921E+01 0.2544542E+04-0.1146851E-03-0.2461906E+05 0.1843518E+01 COCl 5 0.500 1-1.000 2 1.000 3 1.000 5 COCl 32.332 25.954 20.606 17.132 14.697 12.897 11.514 10.418 JA71 COCl 9.529 8.794 8.176 7.650 7.197 COCl -0.1482458E+01 0.9600439E+04 0.6354645E-06-0.6791791E+04 0.6832199E+00 COClF 5 -1.000 2 1.000 3 1.000 5 1.000 6 COClF 21.526 18.349 15.697 13.980 12.778 11.887 11.201 10.656 JA71 COClF 10.211 9.841 9.529 9.261 9.029 COClF 0.4838269E+01 0.4618934E+04-0.1486114E-03 0.2252663E+05 0.3987947E+00 COCl2 4 -1.000 2 1.000 3 2.000 5 COCl2 26.356 22.268 18.841 16.612 15.046 13.885 12.988 12.275 JA71 COCl2 11.694 11.212 10.804 10.455 10.153 COCl2 0.6588627E+01 0.5939395E+04-0.3292564E-04 0.1685937E+05-0.1346875E+00 COF 5 0.500 1-1.000 2 1.000 3 1.000 6 COF 45.210 36.297 28.831 23.987 20.594 18.085 16.157 14.629 JA71 COF 13.388 12.361 11.497 10.759 10.123 COF -0.3519045E+01 0.1344054E+05-0.1854165E-03-0.3446690E+04 0.1512801E+01 COF2 4 -1.000 2 1.000 3 2.000 6 COF2 16.332 14.258 12.544 11.444 10.678 10.114 9.681 9.337 JA71 COF2 9.057 8.824 8.626 8.457 8.309 COF2 0.3593935E+01 0.3028982E+04-0.2559812E-03 0.2609308E+05 0.9544215E+00 COS 4 -1.000 2 1.000 3 1.000 4 COS 5.314 4.232 3.317 2.718 2.297 1.984 1.743 1.552 B689 COS 1.397 1.268 1.161 1.070 0.992 COS 0.4821159E+00 0.1616650E+04 0.8104396E-04-0.5714799E+04-0.2223597E+00 CS 5 1.000 1-2.000 2 1.000 3 1.000 4 CS 36.050 28.411 22.009 17.858 14.954 12.812 11.169 9.871 B689 CS 8.820 7.953 7.227 6.609 6.079 CS -0.6976540E+01 0.1170913E+05-0.3197027E-04-0.2404675E+05 0.1630280E+01 CSF8 6 -3.000 1-2.000 2 1.000 3 1.000 4 8.000 6 CSF8 104.540 90.466 78.620 70.864 65.370 61.260 58.060 55.491 JA82 CSF8 53.378 51.606 50.096 48.791 47.651 CSF8 0.5229992E+02 0.1918647E+05-0.1289885E-03 0.1452397E+06-0.5539431E+01 CS2 4 -2.000 2 1.000 3 2.000 4 CS2 12.431 10.026 7.993 6.662 5.725 5.029 4.493 4.068 B689 CS2 3.723 3.438 3.199 2.997 2.823 CS2 0.1978754E+01 0.3571871E+04 0.2014846E-03-0.1119098E+05-0.5908710E+00 C2 4 4.000 1 2.000 3-4.000 2 C2 114.931 91.803 72.429 59.870 51.085 44.604 39.631 35.699 B672 C2 32.514 29.884 27.675 25.796 24.177 C2 -0.1895286E+02 0.3562405E+05-0.5354548E-03-0.7847983E+05 0.6240901E+01 C2Cl2 5 3.000 1-4.000 2 2.000 3 2.000 5 C2Cl2 46.152 38.641 32.387 28.359 25.559 23.505 21.937 20.703 B674 C2Cl2 19.708 18.889 18.203 17.621 17.121 C2Cl2 -0.3999162E+01 0.1187640E+05-0.4772778E-03-0.2643659E+05 0.4347333E+01 C2Cl4 5 2.000 1-4.000 2 2.000 3 4.000 5 C2Cl4 48.559 42.364 37.199 33.865 31.537 29.822 28.506 27.465 B674 C2Cl4 26.622 25.923 25.335 24.833 24.400 C2Cl4 0.1128808E+02 0.9425598E+04-0.3705806E-03 0.9029135E+04 0.2289941E+01 C2Cl6 5 1.000 1-4.000 2 2.000 3 6.000 5 C2Cl6 69.414 60.987 53.903 49.280 46.019 43.590 41.709 40.206 B674 C2Cl6 38.976 37.950 37.079 36.330 35.678 C2Cl6 0.3138942E+02 0.1208109E+05-0.1635100E-03 0.3861196E+05-0.1164384E+01 C2F2 5 3.000 1-4.000 2 2.000 3 2.000 6 C2F2 76.598 62.996 51.639 44.298 39.172 35.396 32.502 30.215 B674 C2F2 28.362 26.832 25.546 24.451 23.507 C2F2 -0.5091565E+01 0.2088738E+05-0.6015926E-03-0.1302246E+05 0.4832939E+01 C2F4 5 2.000 1-4.000 2 2.000 3 4.000 6 C2F4 61.719 52.800 45.379 40.593 37.257 34.800 32.917 31.426 B674 C2F4 30.218 29.218 28.375 27.655 27.032 C2F4 0.6450260E+01 0.1358974E+05-0.6897604E-03 0.2119879E+05 0.3902189E+01 C2F6 5 1.000 1-4.000 2 2.000 3 6.000 6 C2F6 47.055 43.022 39.694 37.556 36.064 34.961 34.110 33.432 B674 C2F6 32.876 32.411 32.015 31.672 31.370 C2F6 0.2357806E+02 0.5693671E+04-0.6092086E-03 0.7289240E+05 0.1512236E+01 C2HCl 5 4.000 1 2.000 3 1.000 5-4.000 2 C2HCl 29.339 24.946 21.338 19.051 17.486 16.356 15.505 14.844 JA71 C2HCl 14.318 13.890 13.535 13.237 12.983 C2HCl -0.9233255E+01 0.7399451E+04-0.6507072E-03-0.2095969E+05 0.5732301E+01 C2HF 5 4.000 1 2.000 3 1.000 6-4.000 2 C2HF 45.438 37.783 31.438 27.373 24.559 22.504 20.940 19.714 JA71 C2HF 18.727 17.917 17.240 16.666 16.174 C2HF -0.1023264E+02 0.1227241E+05-0.7201420E-03-0.2040185E+05 0.6043028E+01 C2H2 4 5.000 1-4.000 2 2.000 3 C2H2 14.645 13.058 11.832 11.114 10.663 10.365 10.162 10.019 B677 C2H2 9.917 9.843 9.788 9.746 9.715 C2H2 -0.1406355E+02 0.3413254E+04-0.8303638E-03-0.1917397E+05 0.7162753E+01 C2H4 4 6.000 1-4.000 2 2.000 3 C2H4 -10.024 -5.439 -1.413 1.331 3.338 4.878 6.099 7.094 B677 C2H4 7.921 8.619 9.215 9.731 10.181 C2H4 -0.1674652E+02-0.5532425E+04-0.1392866E-02 0.1177699E+05 0.1033020E+02 C2H4O 4 5.000 1-3.000 2 2.000 3 C2H4O 15.723 15.493 15.463 15.554 15.685 15.824 15.959 16.084 JA71 C2H4O 16.198 16.300 16.391 16.471 16.542 C2H4O -0.1056832E+02 0.1241273E+04-0.1388660E-02 0.3948112E+05 0.8930615E+01 C2H6 4 7.000 1-4.000 2 2.000 3 C2H6 -27.767 -18.331 -10.187 -4.734 -0.808 2.164 4.496 6.375*B677 C2H6 7.922 9.215 10.311 11.250 12.061 C2H6 -0.2258569E+02-0.1207102E+05-0.2322188E-02-0.1226231E+05 0.1460347E+02 C3 4 6.000 1 3.000 3-6.000 2 C3 99.172 79.877 63.806 53.461 46.272 41.005 36.990 33.834 B672 C3 31.294 29.208 27.467 25.992 24.729 C3 -0.2948128E+02 0.3060890E+05-0.9163445E-03-0.8277930E+05 0.1099040E+02 C3O2 4 4.000 1 3.000 3-4.000 2 C3O2 27.867 23.690 20.257 18.083 16.597 15.523 14.716 14.088 JA71 C3O2 13.589 13.182 12.845 12.562 12.320 C3O2 -0.1021474E+02 0.7151024E+04-0.7151959E-03-0.2944734E+05 0.5917226E+01 C4 4 8.000 1 4.000 3-8.000 2 C4 115.323 93.915 76.099 64.634 56.668 50.830 46.378 42.877 B672 C4 40.056 37.738 35.800 34.157 32.747 C4 -0.2768143E+02 0.3382759E+05-0.1210156E-02-0.6855305E+05 0.1239803E+02 C5 4 10.000 1 5.000 3-10.00 2 C5 105.374 86.864 71.528 61.710 54.925 49.976 46.221 43.282 B672 C5 40.925 38.995 37.388 36.030 34.868 C5 -0.3161967E+02 0.2995354E+05-0.1531032E-02-0.7562844E+05 0.1529085E+02 C6H6 4 15.000 1-12.00 2 6.000 3 C6H6 -43.286 -26.959 -12.821 -3.321 3.546 8.761 12.865 16.183*B677 C6H6 18.921 21.218 23.169 24.845 26.297 C6H6 -0.4299596E+02-0.2040321E+05-0.4201523E-02-0.3437239E+05 0.2820117E+02 Ca 4 1.000 1-2.000 5 1.00023 Ca 75.794 59.441 45.728 36.821 30.574 25.954 22.399 19.581 B672 Ca 17.292 15.398 13.803 12.443 11.269 Ca -0.1073658E+02 0.2454226E+05-0.1460427E-03-0.7751243E+04 0.1756416E+01 CaBr 5 0.500 1-2.000 5 1.000 7 1.00023 CaBr 44.210 34.575 26.503 21.266 17.597 14.887 12.805 11.156 B674 CaBr 9.818 8.712 7.783 6.991 6.309 CaBr -0.7843035E+01 0.1451605E+05-0.7543307E-04-0.5072823E+04 0.1392447E+01 CaBr2 4 -2.000 5 2.000 7 1.00023 CaBr2 -4.470 -3.582 -2.837 -2.352 -2.010 -1.756 -1.560 -1.403 B674 CaBr2 -1.276 -1.169 -1.079 -1.002 -0.935 CaBr2 -0.5026784E+00-0.1263835E+04-0.3540377E-06-0.5610203E+04 0.1353146E+00 CaCl 4 0.500 1-1.000 5 1.00023 CaCl 45.481 35.587 27.297 21.918 18.150 15.366 13.226 11.532 B674 CaCl 10.157 9.020 8.064 7.250 6.548 CaCl -0.8104792E+01 0.1491741E+05-0.1013163E-03-0.6336441E+04 0.1476731E+01 CaF 5 0.500 1-2.000 5 1.000 6 1.00023 CaF 46.633 36.497 28.007 22.499 18.640 15.789 13.597 11.861 B674 CaF 10.452 9.286 8.306 7.470 6.749 CaF -0.8273851E+01 0.1525472E+05-0.1392202E-03-0.2015842E+04 0.1538312E+01 CaF2 4 -2.000 5 2.000 6 1.00023 CaF2 8.079 6.320 4.778 3.729 2.963 2.375 1.906 1.521 JA85 CaF2 1.200 0.925 0.688 0.481 0.297 CaF2 0.6891292E+01 0.2348227E+04 0.1177330E-03-0.1770363E+05-0.2636643E+01 CaH 4 1.500 1-2.000 5 1.00023 CaH 85.789 67.626 52.402 42.517 35.586 30.460 26.516 23.389 B677 CaH 20.850 18.746 16.976 15.465 14.161 CaH -0.1084759E+02 0.2723544E+05-0.2413492E-03-0.9133544E+03 0.2170479E+01 CaO 4 1.000 2-2.000 5 1.00023 CaO 94.353 74.191 57.259 46.239 38.498 32.761 28.341 24.830 B672 CaO 21.974 19.607 17.612 15.907 14.435 CaO -0.7323356E+01 0.2998355E+05-0.4509982E-04-0.2274569E+04 0.4647562E+00 CaOH 5 0.500 1 1.000 2-2.000 5 1.00023 CaOH 55.277 43.492 33.598 27.160 22.638 19.287 16.704 14.653 JA78 CaOH 12.985 11.602 10.436 9.440 8.580 CaOH -0.3691778E+01 0.1746047E+05-0.7855024E-05 0.6603694E+04 0.1350232E+00 Ca(OH)2 4 2.000 2-2.000 5 1.00023 Ca(OH)2 28.435 22.802 18.046 14.929 12.722 11.074 9.795 8.771 JA78 Ca(OH)2 7.933 7.233 6.639 6.129 5.686 Ca(OH)2 0.6745418E+01 0.7928639E+04 0.1451629E-03 0.2309947E+05-0.2104050E+01 CaS 4 1.000 4-2.000 5 1.00023 CaS 69.771 54.592 41.849 33.562 27.746 23.440 20.125 17.494 B689 CaS 15.355 13.582 12.089 10.814 9.712 CaS -0.1089486E+02 0.2289070E+05-0.2447760E-03-0.2542928E+05 0.1717203E+01 Ca2 4 2.000 1-4.000 5 2.00023 Ca2 152.647 120.292 93.174 75.573 63.241 54.128 47.125 41.579 B672 Ca2 37.080 33.360 30.233 27.570 25.275 Ca2 -0.2152355E+02 0.4878359E+05-0.2039086E-03-0.2855723E+05 0.4417843E+01 CdS 4 -1.000 1 1.000 4 1.00012 CdS 16.805 13.375 10.471 8.565 7.216 6.210 5.430 4.808 B689 CdS 4.301 3.879 3.523 3.219 2.957 CdS 0.4346647E+01 0.4868665E+04 0.2769956E-03 0.2898445E+04-0.1611033E+01 Cl 3 -0.500 1 1.000 5 Cl 35.147 27.616 21.270 17.123 14.198 12.022 10.339 8.998 B672 Cl 7.904 6.994 6.225 5.566 4.996 Cl 0.1565271E+01 0.1095609E+05 0.1215758E-03 0.6195278E+04-0.1321991E+01 ClF 4 -1.000 1 1.000 5 1.000 6 ClF 55.870 44.763 35.420 29.326 25.035 21.848 19.386 17.427 B674 ClF 15.830 14.503 13.383 12.424 11.595 ClF 0.4015837E+01 0.1624315E+05 0.8938234E-04 0.1311096E+05-0.1131491E+01 ClF3 4 -2.000 1 1.000 5 3.000 6 ClF3 140.603 114.068 91.743 77.178 66.917 59.291 53.397 48.703 B674 ClF3 44.875 41.691 39.001 36.698 34.703 ClF3 0.1831772E+02 0.3864803E+05 0.1605782E-03 0.4488866E+05-0.3190086E+01 ClF5 4 -3.000 1 1.000 5 5.000 6 ClF5 232.212 189.227 153.056 129.451 112.815 100.447 90.884 83.264 B674 ClF5 77.047 71.874 67.502 63.756 60.510 ClF5 0.3603664E+02 0.6244720E+05 0.2308789E-03 0.8417579E+05-0.5774762E+01 ClF5S 5 -4.000 1 1.000 4 1.000 5 5.000 6 ClF5S 99.047 83.515 70.400 61.792 55.687 51.118 47.562 44.708 JA82 ClF5S 42.365 40.402 38.734 37.295 36.042 ClF5S 0.4443628E+02 0.2133177E+05 0.3442520E-03 0.1122800E+06-0.7396479E+01 ClO 4 -1.500 1 1.000 2 1.000 5 ClO 73.927 58.560 45.617 37.163 31.204 26.774 23.349 20.621 B672 ClO 18.397 16.547 14.986 13.649 12.493 ClO 0.4713913E+01 0.2238366E+05 0.2608549E-03 0.1394784E+05-0.2463914E+01 ClO2 4 -2.500 1 2.000 2 1.000 5 ClO2 118.214 94.228 74.023 60.827 51.521 44.601 39.249 34.985 JA71 ClO2 31.506 28.613 26.169 24.076 22.264 ClO2 0.1106740E+02 0.3484071E+05 0.3787692E-03 0.3121280E+05-0.4111525E+01 ClO3F 5 -4.000 1 3.000 2 1.000 5 1.000 6 ClO3F 193.941 156.248 124.503 103.767 89.140 78.258 69.838 63.126 JA71 ClO3F 57.646 53.085 49.229 45.924 43.061 ClO3F 0.2709063E+02 0.5451588E+05 0.4592905E-03 0.7569979E+05-0.6864299E+01 Cl2O 4 -2.000 1 1.000 2 2.000 5 Cl2O 90.520 72.658 57.609 47.778 40.844 35.687 31.699 28.521 B672 Cl2O 25.928 23.772 21.950 20.391 19.041 Cl2O 0.1138008E+02 0.2591758E+05 0.3322762E-03 0.2319940E+05-0.3292904E+01 Cl2 3 -1.000 1 2.000 5 Cl2 33.390 26.883 21.402 17.821 15.296 13.417 11.965 10.807 B672 Cl2 9.863 9.078 8.414 7.846 7.355 Cl2 0.4834965E+01 0.9413482E+04 0.1385972E-03 0.1128398E+05-0.1287654E+01 cobalt 4 1.000 1-2.000 5 1.00026 cobalt 51.995 40.251 30.401 24.001 19.510 16.187 13.629 11.599 B672 cobalt 9.951 8.585 7.435 6.453 5.606 cobalt -0.9147946E+01 0.1754152E+05-0.8854735E-04 0.9059711E+03 0.9394465E+00 CoCl:Co 4 0.500 1-1.000 5 1.00026 CoCl:Co 30.450 23.621 17.908 14.208 11.621 9.713 8.250 7.093 B674 CoCl:Co 6.157 5.385 4.737 4.186 3.713 CoCl:Co -0.7386563E+01 0.1033010E+05-0.2722175E-04-0.2392427E+04 0.1303046E+01 (CoCl2)2 2 2.00026 (CoCl2)2 -20.935 -15.199 -10.402 -7.294 -5.121 -3.518 -2.288 -1.316 B674 (CoCl2)2 -0.528 0.123 0.669 1.133 1.533 (CoCl2)2 0.1094880E+02-0.8670636E+04 0.6127529E-04 0.6314568E+03-0.1142761E+01 CoCl3 4 -0.500 1 1.000 5 1.00026 CoCl3 8.412 7.619 6.940 6.486 6.158 5.908 5.711 5.550 B674 CoCl3 5.417 5.305 5.209 5.126 5.053 CoCl3 0.9169313E+01 0.8523534E+03 0.1901102E-03 0.1951524E+05-0.1573021E+01 CoF2:Co 4 -2.000 5 2.000 6 1.00026 CoF2:Co 17.082 13.598 10.688 8.805 7.488 6.516 5.770 5.180 B674 CoF2:Co 4.701 4.306 3.974 3.691 3.447 CoF2:Co -0.1708515E+01 0.5177865E+04-0.3234241E-04 0.1054035E+05 0.5314134E+00 Cr 4 2.000 1-4.000 5 1.00025 Cr 64.254 48.255 34.866 26.193 20.129 15.657 12.228 9.516 B672 Cr 7.320 5.507 3.986 2.691 1.576 Cr -0.2794481E+02 0.2451483E+05-0.3441301E-03-0.3461873E+05 0.4230336E+01 CrBr4 4 -4.000 5 4.000 7 1.00025 CrBr4 -10.032 -8.082 -6.451 -5.392 -4.648 -4.096 -3.671 -3.332*B674 CrBr4 -3.055 -2.825 -2.631 -2.464 -2.319 CrBr4 -0.4949170E+00-0.2806741E+04 0.5022172E-04-0.1320072E+05 0.4165124E-02 CrO 5 1.000 1 1.000 2-4.000 5 1.00025 CrO 69.613 52.458 38.078 28.746 22.207 17.376 13.665 10.725 B672 CrO 8.342 6.372 4.716 3.306 2.091 CrO -0.2325840E+02 0.2592799E+05-0.1088211E-03-0.2171317E+05 0.2499637E+01 CrO2 4 2.000 2-4.000 5 1.00025 CrO2 67.270 50.871 37.105 28.153 21.869 17.217 13.635 10.795 B672 CrO2 8.488 6.577 4.970 3.600 2.418 CrO2 -0.1554760E+02 0.2440083E+05 0.1281643E-03-0.8179981E+03 0.3830377E+00 CrO2Cl2 5 -1.000 1 2.000 2-2.000 5 1.00025 CrO2Cl2 28.075 21.454 15.862 12.198 9.605 7.670 6.170 4.971*BA77 CrO2Cl2 3.991 3.174 2.483 1.890 1.377 CrO2Cl2 0.3082586E+01 0.9321803E+04 0.3089193E-03 0.2429855E+05-0.2682826E+01 CrO3 5 -1.000 1 3.000 2-4.000 5 1.00025 CrO3 74.715 57.452 42.930 33.461 26.794 21.845 18.024 14.985 B672 CrO3 12.510 10.455 8.722 7.241 5.960 CrO3 -0.5558201E+01 0.2525494E+05 0.2743827E-03 0.1789215E+05-0.1905634E+01 cesium 4 0.500 1-1.000 5 1.00034 cesium 37.187 29.284 22.648 18.332 15.300 13.054 11.324 9.951 B672 cesium 8.833 7.907 7.127 6.460 5.884 cesium -0.3358593E+01 0.1179765E+05-0.5752985E-04-0.3387175E+04 0.4167930E+00 (CsCl)2 2 2.00034 (CsCl)2 -24.728 -18.417 -13.134 -9.710 -7.313 -5.543 -4.184 -3.109 B674 (CsCl)2 -2.237 -1.517 -0.912 -0.398 0.046 (CsCl)2 0.9356672E+01-0.9479184E+04 0.2542945E-04-0.2138275E+04-0.9193587E+00 CsF 4 -1.000 5 1.000 6 1.00034 CsF 10.877 8.689 6.852 5.657 4.816 4.193 3.712 3.329 B674 CsF 3.017 2.758 2.540 2.353 2.191 CsF 0.3727278E+00 0.3192364E+04-0.1991492E-05 0.6219670E+04-0.1100429E+00 (CsF)2 4 -2.000 5 2.000 6 2.00034 (CsF)2 -1.403 0.272 1.662 2.552 3.167 3.614 3.952 4.215 B674 (CsF)2 4.425 4.595 4.735 4.852 4.951 (CsF)2 0.1015032E+02-0.2688006E+04-0.1193900E-04 0.8068009E+04-0.1060806E+01 CsO 5 -0.500 1 1.000 2-1.000 5 1.00034 CsO 75.978 60.036 46.619 37.867 31.704 27.127 23.594 20.783 B672 CsO 18.492 16.590 14.985 13.613 12.426 CsO 0.9351757E+00 0.2343616E+05 0.1689825E-03 0.2949309E+04-0.1473477E+01 CsOH 4 1.000 2-1.000 5 1.00034 CsOH 22.984 18.388 14.504 11.958 10.156 8.812 7.769 6.936 JA74 CsOH 6.254 5.686 5.205 4.791 4.433 CsOH 0.4410856E+01 0.6586209E+04 0.1211058E-03 0.5567069E+04-0.1461289E+01 (CsOH)2 4 2.000 2-2.000 5 2.00034 (CsOH)2 24.123 20.901 18.185 16.402 15.136 14.185 13.442 12.843 JA74 (CsOH)2 12.349 11.932 11.575 11.265 10.993 (CsOH)2 0.1261654E+02 0.4347799E+04-0.1240634E-03 0.3593253E+05-0.1391571E+01 (CES.)2 4 1.000 1-2.000 5 2.00034 (CES.)2 69.595 55.449 43.580 35.867 30.453 26.446 23.361 20.913 B672 (CES.)2 18.923 17.274 15.884 14.698 13.673 (CES.)2 -0.4884454E+01 0.2121324E+05-0.1983442E-03-0.7912604E+04 0.1405604E+01 Cs2O 4 1.000 2-2.000 5 2.00034 Cs2O 78.515 62.822 49.622 41.016 34.961 30.466 26.998 24.239 B672 Cs2O 21.993 20.129 18.556 17.211 16.049 Cs2O 0.3200364E+01 0.2314563E+05 0.1094611E-03 0.1215925E+04-0.9547746E+00 Cs2SO4 6 -4.000 1 1.000 4-2.000 5 2.00034 4.000 2 Cs2SO4 37.101 31.378 26.445 23.131 20.728 18.891 17.434 16.244 B677 Cs2SO4 15.251 14.407 13.680 13.047 12.489 Cs2SO4 0.3692745E+02 0.6744717E+04 0.7036088E-03 0.7477949E+05-0.9496797E+01 Cu 4 0.500 1-1.000 5 1.00014 Cu 24.279 18.867 14.321 11.363 9.286 7.747 6.561 5.619 B672 Cu 4.854 4.219 3.684 3.226 2.831 Cu -0.3989276E+01 0.8132345E+04-0.7465063E-04-0.7952728E+04 0.4461550E+00 CuBr 4 -1.000 5 1.000 7 1.00014 CuBr -4.265 -3.401 -2.677 -2.206 -1.875 -1.629 -1.440 -1.289 B674 CuBr -1.166 -1.064 -0.978 -0.904 -0.840 CuBr -0.1695377E+00-0.1247811E+04 0.2572323E-05-0.4216337E+04 0.5512490E-01 (CuBr)3 4 -3.000 5 3.000 7 3.00014 (CuBr)3 -88.469 -67.620 -50.157 -38.827 -30.891 -25.026 -20.520 -16.951*B674 (CuBr)3 -14.057 -11.663 -9.652 -7.939 -6.463 (CuBr)3 0.2225458E+02-0.3122369E+05 0.5074461E-04-0.7393677E+04-0.2396827E+01 (CuCl)3 2 3.00014 (CuCl)3 -76.388 -58.100 -42.784 -32.851 -25.895 -20.759 -16.814 -13.692 B674 (CuCl)3 -11.161 -9.070 -7.314 -5.819 -4.532 (CuCl)3 0.2210514E+02-0.2751286E+05 0.4553506E-04 0.3845435E+04-0.2534468E+01 CuF 4 -1.000 5 1.000 6 1.00014 CuF 25.863 20.642 16.258 13.405 11.399 9.913 8.766 7.855 B674 CuF 7.113 6.497 5.977 5.533 5.149 CuF -0.2087705E+00 0.7722247E+04-0.3984536E-04 0.4321117E+04 0.5436166E-01 CuF2 5 -0.500 1-1.000 5 2.000 6 1.00014 CuF2 18.386 15.499 13.063 11.464 10.331 9.482 8.820 8.290 B674 CuF2 7.853 7.487 7.175 6.906 6.671 CuF2 0.8043418E+01 0.3957419E+04 0.1604670E-04 0.2323759E+05-0.1291951E+01 CuH 4 1.000 1-1.000 5 1.00014 CuH 15.197 11.987 9.305 7.571 6.359 5.466 4.780 4.238 B677 CuH 3.798 3.433 3.127 2.866 2.640 CuH -0.4136526E+01 0.4930450E+04-0.1803929E-03-0.3258232E+04 0.1166821E+01 CuO 5 -0.500 1 1.000 2-1.000 5 1.00014 CuO 49.546 38.936 29.996 24.159 20.045 16.988 14.625 12.744 B672 CuO 11.210 9.935 8.858 7.936 7.138 CuO -0.5960343E+00 0.1566853E+05 0.4204537E-04-0.9921670E+04-0.9341069E+00 F 3 -0.500 1 1.000 6 F 59.078 46.666 36.218 29.401 24.599 21.032 18.277 16.084 B672 F 14.297 12.811 11.557 10.484 9.555 F 0.3953349E+00 0.1826659E+05 0.6252779E-04-0.6839628E+01-0.1051707E+01 FO 4 -1.500 1 1.000 2 1.000 6 FO 106.685 84.703 66.201 54.131 45.629 39.313 34.435 30.552 B672 FO 27.388 24.759 22.539 20.640 18.997 FO 0.3907618E+01 0.3223857E+05 0.1963864E-03 0.1128453E+05-0.2237592E+01 FO2 4 -2.500 1 2.000 2 1.000 6 FO2 133.012 105.892 83.049 68.133 57.618 49.800 43.758 38.945 B672 FO2 35.019 31.756 28.999 26.640 24.598 FO2 0.9797065E+01 0.3957341E+05 0.3685373E-03 0.2021687E+05-0.3981596E+01 FS2F 4 -3.000 1 2.000 4 2.000 6 FS2F 47.864 38.977 31.437 26.471 22.941 20.297 18.238 16.588 B674 FS2F 15.234 14.102 13.142 12.317 11.600 FS2F 0.1921844E+02 0.1231881E+05 0.5605945E-03 0.2635003E+05-0.5308488E+01 F2 3 -1.000 1 2.000 6 F2 96.493 77.243 61.059 50.512 43.090 37.581 33.330 29.948 B672 F2 27.193 24.905 22.974 21.323 19.894 F2 0.3989923E+01 0.2831691E+05 0.4825873E-04 0.1470208E+05-0.1071805E+01 F2O 4 -2.000 1 1.000 2 2.000 6 F2O 143.856 115.219 91.124 75.408 64.339 56.117 49.766 44.711 B672 F2O 40.591 37.167 34.276 31.803 29.662 F2O 0.1014333E+02 0.4191322E+05 0.2263962E-03 0.2796580E+05-0.2928769E+01 Fe 4 1.000 1-2.000 5 1.00010 Fe 58.655 45.566 34.580 27.439 22.428 18.721 15.868 13.605 B672 Fe 11.768 10.247 8.967 7.875 6.934 Fe -0.9903918E+01 0.1966521E+05-0.4942116E-04-0.1517411E+05 0.1126297E+01 FeBr2 4 -2.000 5 2.000 7 1.00010 FeBr2 -2.908 -2.479 -2.123 -1.893 -1.731 -1.612 -1.519 -1.446 B674 FeBr2 -1.385 -1.335 -1.293 -1.256 -1.224 FeBr2 -0.1008474E+01-0.5776450E+03 0.1161961E-04-0.8264246E+04 0.5149783E-01 (FeBr2)2 4 -4.000 5 4.000 7 2.00010 (FeBr2)2 -27.365 -20.522 -14.805 -11.103 -8.514 -6.604 -5.137 -3.976 B674 (FeBr2)2 -3.035 -2.257 -1.603 -1.046 -0.565 (FeBr2)2 0.1032245E+02-0.1024984E+05 0.1244336E-03-0.1229308E+05-0.1296489E+01 Fe(Co)5 6 6.000 1-5.000 2 5.000 3-2.000 5 1.00010 Fe(Co)5 18.336 18.821 19.293 19.653 19.940 20.176 20.373 20.539 JA82 Fe(Co)5 20.681 20.803 20.908 20.999 21.078 Fe(Co)5 0.3054975E+01 0.2854419E+03-0.9586384E-03-0.3836023E+05 0.6078639E+01 FeCl 4 0.500 1-1.000 5 1.00010 FeCl 48.340 37.792 28.944 23.194 19.161 16.177 13.881 12.061 B674 FeCl 10.584 9.361 8.332 7.455 6.699 FeCl -0.6303202E+01 0.1576927E+05 0.1249824E-04-0.2860276E+04 0.7198507E+00 (FeCl2)2 2 2.00010 (FeCl2)2 -19.171 -13.925 -9.543 -6.709 -4.729 -3.271 -2.154 -1.271 B674 (FeCl2)2 -0.557 0.032 0.526 0.946 1.307 (FeCl2)2 0.1090404E+02-0.7971914E+04 0.8631841E-04 0.4988851E+03-0.1361296E+01 FeCl3 4 -0.500 1 1.000 5 1.00010 FeCl3 0.380 1.101 1.691 2.064 2.318 2.501 2.638 2.745 B674 FeCl3 2.829 2.898 2.955 3.003 3.044 FeCl3 0.7318505E+01-0.1250328E+04 0.1470226E-03 0.5142866E+04-0.1150385E+01 (FeCl3)2 4 -1.000 1 2.000 5 2.00010 (FeCl3)2 -17.070 -10.480 -5.018 -1.520 0.901 2.667 4.008 5.058 B674 (FeCl3)2 5.899 6.587 7.160 7.642 8.054 (FeCl3)2 0.2842592E+02-0.1041814E+05 0.2971167E-03 0.8021382E+04-0.4337212E+01 FeF 5 0.500 1-2.000 5 1.000 6 1.00010 FeF 44.639 34.884 26.712 21.410 17.695 14.950 12.840 11.169 B674 FeF 9.814 8.693 7.751 6.948 6.256 FeF -0.7381409E+01 0.1463225E+05-0.4768175E-04 0.8550251E+03 0.1191453E+01 FeF2 4 -2.000 5 2.000 6 1.00010 FeF2 20.283 16.289 12.928 10.732 9.181 8.025 7.130 6.415 B674 FeF2 5.830 5.343 4.931 4.577 4.270 FeF2 0.4528362E+01 0.5582381E+04 0.1177306E-03 0.2689484E+05-0.1336229E+01 FeF3 5 -0.500 1-2.000 5 3.000 6 1.00010 FeF3 -3.787 -2.209 -0.878 -0.013 0.592 1.037 1.377 1.645 B674 FeF3 1.860 2.037 2.184 2.308 2.414 FeF3 0.6196323E+01-0.2596816E+04-0.1192171E-04 0.2695874E+05-0.6358182E+00 Fe(OH)2 4 2.000 2-2.000 5 1.00010 Fe(OH)2 20.241 16.377 13.103 10.944 9.403 8.245 7.338 6.608 JA71 Fe(OH)2 6.005 5.499 5.067 4.694 4.367 Fe(OH)2 0.1088259E+02 0.5008479E+04 0.2372516E-03 0.4645713E+05-0.3246595E+01 FeS 4 1.000 4-2.000 5 1.00010 FeS 54.496 42.245 31.944 25.236 20.521 17.027 14.335 12.199 B689 FeS 10.463 9.025 7.815 6.784 5.895 FeS -0.5249680E+01 0.1817738E+05 0.2373134E-03-0.7917500E+04-0.4862439E+00 Ga 4 1.500 1-3.000 5 1.00031 Ga 64.731 49.540 36.796 28.516 22.708 18.412 15.107 12.487 B672 Ga 10.359 8.599 7.117 5.854 4.765 Ga -0.1507975E+02 0.2280096E+05-0.5998777E-04-0.1154545E+05 0.1407903E+01 GaCl 4 1.000 1-2.000 5 1.00031 GaCl 22.647 16.448 11.271 7.925 5.591 3.874 2.561 1.525 B674 GaCl 0.688 -0.001 -0.578 -1.068 -1.489 GaCl -0.1481692E+02 0.9594945E+04-0.1548920E-03-0.1581897E+05 0.2225309E+01 GaCl2 4 0.500 1-1.000 5 1.00031 GaCl2 12.085 8.643 5.772 3.920 2.630 1.682 0.959 0.390 B674 GaCl2 -0.070 -0.447 -0.763 -1.030 -1.259 GaCl2 -0.9142104E+01 0.5345442E+04-0.7445706E-04-0.8069993E+04 0.1378645E+01 (GaCl3)2 2 2.00031 (GaCl3)2 -8.725 -5.420 -2.683 -0.932 0.276 1.155 1.821 2.339 B674 (GaCl3)2 2.752 3.088 3.366 3.598 3.794 (GaCl3)2 0.1376645E+02-0.5221483E+04 0.5210420E-05 0.4236340E+04-0.2031877E+01 GaF 5 1.000 1-3.000 5 1.000 6 1.00031 GaF 25.923 19.061 13.330 9.625 7.040 5.137 3.679 2.529 B674 GaF 1.599 0.832 0.189 -0.358 -0.828 GaF -0.1517130E+02 0.1057079E+05-0.2047840E-03-0.1220577E+05 0.2359343E+01 GaF2 5 0.500 1-3.000 5 2.000 6 1.00031 GaF2 23.475 17.700 12.878 9.761 7.583 5.979 4.749 3.777 B674 GaF2 2.989 2.339 1.794 1.329 0.929 GaF2 -0.9802651E+01 0.8755127E+04-0.1533574E-03 0.3880990E+04 0.1582144E+01 GaF3 4 -3.000 5 3.000 6 1.00031 GaF3 8.915 7.057 5.512 4.512 3.813 3.296 2.897 2.580 B674 GaF3 2.321 2.106 1.924 1.767 1.631 GaF3 -0.9649050E+00 0.2671600E+04-0.1197349E-03 0.1893643E+05 0.2998494E+00 GaH 4 2.000 1-3.000 5 1.00031 GaH 55.554 42.584 31.731 24.701 19.785 16.157 13.373 11.170 B677 GaH 9.384 7.909 6.669 5.613 4.702 GaH -0.1883800E+02 0.1979490E+05-0.3588192E-03-0.1806126E+05 0.3358278E+01 Ga2S 5 2.000 1 1.000 4-6.000 5 2.00031 Ga2S 46.115 33.789 23.495 16.843 12.203 8.790 6.180 4.121 BA77 Ga2S 2.459 1.091 -0.055 -1.026 -1.860 Ga2S -0.2739475E+02 0.1900186E+05-0.2100502E-03-0.2486496E+05 0.4089616E+01 H 2 0.500 1 H 35.614 27.930 21.458 17.233 14.254 12.040 10.328 8.965 B672 H 7.853 6.928 6.147 5.478 4.898 H 0.2536054E-01 0.1126164E+05 0.4763064E-04 0.2041891E+04-0.8972807E+00 HCO 4 1.500 1-1.000 2 1.000 3 HCO 34.000 27.144 21.420 17.723 15.144 13.246 11.792 10.645 JA74 HCO 9.716 8.950 8.307 7.761 7.290 HCO -0.7927471E+01 0.1059494E+05-0.2950192E-03-0.1169376E+05 0.2671916E+01 HClO 4 -1.000 1 1.000 5 1.000 2 HClO 42.845 34.316 27.137 22.451 19.148 16.692 14.793 13.280 JA71 HClO 12.046 11.019 10.152 9.410 8.767 HClO 0.4950151E+01 0.1232641E+05 0.1380322E-03 0.2053995E+05-0.1503485E+01 (HF)2 2 2.000 6 (HF)2 1.106 2.038 2.842 3.375 3.753 4.034 4.250 4.420 B674 (HF)2 4.558 4.671 4.765 4.843 4.909 (HF)2 0.5240274E+01-0.1539117E+04-0.1682626E-03 0.3003736E+05 0.2991491E+00 (HF)3 2 3.000 6 (HF)3 1.781 3.875 5.640 6.780 7.569 8.143 8.576 8.910 B674 (HF)3 9.174 9.385 9.557 9.698 9.815 (HF)3 0.1686716E+02-0.3675849E+04-0.1967166E-03 0.5823263E+05-0.1355376E+01 (HF)4 2 4.000 6 (HF)4 2.175 5.372 8.050 9.772 10.959 11.818 12.463 12.959 B674 (HF)4 13.350 13.661 13.914 14.120 14.290 (HF)4 0.2624643E+02-0.5595672E+04-0.2619336E-03 0.7758481E+05-0.2464447E+01 (HF)5 2 5.000 6 (HF)5 2.442 6.783 10.411 12.737 14.337 15.493 16.359 17.025 B674 (HF)5 17.548 17.965 18.301 18.576 18.802 (HF)5 0.3569123E+02-0.7575942E+04-0.3306545E-03 0.9669004E+05-0.3567926E+01 (HF)6 2 6.000 6 (HF)6 0.664 6.574 11.508 14.672 16.851 18.427 19.609 20.519 B674 (HF)6 21.236 21.809 22.274 22.654 22.967 (HF)6 0.4486581E+02-0.1016695E+05-0.4184895E-03 0.1151898E+06-0.4555688E+01 (HF)7 2 7.000 6 (HF)7 2.975 9.642 15.199 18.756 21.199 22.962 24.281 25.294 B674 (HF)7 26.088 26.720 27.231 27.647 27.988 (HF)7 0.5397359E+02-0.1153485E+05-0.5173317E-03 0.1311536E+06-0.5508995E+01 OH 3 -0.500 1 1.000 2 OH 46.050 36.150 27.807 22.358 18.517 15.663 13.457 11.701 B672 OH 10.269 9.080 8.076 7.217 6.474 OH 0.3478444E+00 0.1455447E+05 0.1422386E-03-0.5589259E+04-0.1250109E+01 HO2 3 -1.500 1 2.000 2 HO2 82.617 65.500 51.086 41.676 35.044 30.115 26.305 23.271 B672 HO2 20.797 18.740 17.004 15.518 14.231 HO2 0.4478338E+01 0.2498640E+05 0.2241403E-03 0.1421509E+05-0.2381486E+01 HS 3 -0.500 1 1.000 4 HS 25.141 19.495 14.724 11.600 9.395 7.754 6.485 5.474 B689 HS 4.649 3.965 3.387 2.893 2.466 HS 0.2618979E+00 0.8309273E+04 0.1850913E-03-0.1365629E+05-0.1168708E+01 HSO3F 5 -4.000 1 3.000 2 1.000 4 1.000 6 HSO3F 53.223 43.813 35.819 30.537 26.768 23.932 21.712 19.923 JA74 HSO3F 18.447 17.206 16.148 15.234 14.435 HSO3F 0.2878615E+02 0.1249049E+05 0.5095784E-03 0.7426556E+05-0.7453715E+01 H2O2 3 -1.000 1 2.000 2 H2O2 61.500 49.265 38.968 32.248 27.512 23.992 21.271 19.103*B672 H2O2 17.333 15.862 14.618 13.553 12.629 H2O2 0.4821523E+01 0.1786028E+05 0.2557113E-04 0.1539600E+05-0.1376477E+01 H2SO4 4 -4.000 1 1.000 4 4.000 2 H2SO4 51.571 42.629 35.012 29.965 26.352 23.626 21.488 19.761 B689 H2SO4 18.333 17.132 16.105 15.216 14.438 H2SO4 0.3204182E+02 0.1168174E+05 0.5966083E-03 0.7336638E+05-0.8347260E+01 H2S2 3 -1.000 1 2.000 4 H2S2 10.735 8.713 6.985 5.838 5.016 4.397 3.913 3.522*B689 H2S2 3.200 2.930 2.700 2.501 2.329 H2S2 0.6221629E+01 0.2716364E+04 0.2000965E-03 0.4927727E+04-0.1904471E+01 HgBr 4 -0.500 1 1.000 7 1.00041 HgBr 15.790 13.000 10.651 9.118 8.038 7.236 6.617 6.124 B674 HgBr 5.723 5.389 5.108 4.868 4.660 HgBr 0.2856245E+01 0.4094427E+04 0.4713358E-04 0.2841040E+03-0.3298848E+00 HgBr2 4 -1.000 1 2.000 7 1.00041 HgBr2 -7.665 -4.863 -2.535 -1.040 -0.003 0.756 1.334 1.788 B674 HgBr2 2.154 2.454 2.704 2.916 3.098 HgBr2 0.1124284E+02-0.4413468E+04 0.1585277E-03 0.4721776E+04-0.1699557E+01 HgCl 4 -0.500 1 1.000 5 1.00041 HgCl 21.070 17.217 13.976 11.863 10.376 9.271 8.419 7.741 B674 HgCl 7.189 6.730 6.344 6.013 5.727 HgCl 0.2951809E+01 0.5650131E+04 0.4542379E-04 0.3142232E+04-0.3561771E+00 HgCl2 4 -1.000 1 2.000 5 1.00041 HgCl2 3.290 3.911 4.410 4.715 4.915 5.054 5.154 5.227 B674 HgCl2 5.283 5.325 5.358 5.384 5.405 HgCl2 0.1163228E+02-0.1233503E+04 0.1471922E-03 0.1193408E+05-0.1771440E+01 HgF 4 -0.500 1 1.000 6 1.00041 HgF 39.465 31.901 25.544 21.403 18.491 16.330 14.662 13.336 B674 HgF 12.256 11.360 10.604 9.957 9.398 HgF 0.3093362E+01 0.1111119E+05 0.3142700E-04 0.9015076E+04-0.4066323E+00 HgF2 4 -1.000 1 2.000 6 1.00041 HgF2 40.125 33.374 27.685 23.964 21.336 19.377 17.859 16.646 B674 HgF2 15.655 14.828 14.128 13.527 13.005 HgF2 0.1198350E+02 0.9617824E+04 0.9970496E-04 0.2473075E+05-0.1788194E+01 HgH 3 0.500 1 1.00041 HgH 32.100 25.869 20.645 17.248 14.863 13.096 11.733 10.651 BA73 HgH 9.770 9.038 8.421 7.893 7.436 HgH 0.3809089E+00 0.9208382E+04-0.1011757E-03 0.1097890E+05 0.2993141E+00 HgO 4 -1.000 1 1.000 2 1.00041 HgO 38.625 30.789 24.184 19.867 16.822 14.556 12.804 11.408 B672 HgO 10.269 9.322 8.522 7.837 7.244 HgO 0.3998332E+01 0.1139202E+05 0.1630649E-03 0.5623203E+04-0.1492969E+01 HgS 4 -1.000 1 1.000 4 1.00041 HgS 16.096 12.805 10.016 8.185 6.888 5.921 5.171 4.573 B689 HgS 4.085 3.679 3.337 3.044 2.791 HgS 0.3701693E+01 0.4725549E+04 0.2355559E-03-0.3489260E+04-0.1408901E+01 IrF6 4 -3.000 1 6.000 6 1.00042 IrF6 101.477 86.294 73.474 65.065 59.105 54.649 51.183 48.406 B674 IrF6 46.127 44.221 42.601 41.207 39.993 IrF6 0.4578175E+02 0.2107660E+05 0.3264238E-03 0.8977007E+05-0.6507810E+01 K 4 0.500 1-1.000 5 1.000 9 K 34.728 27.301 21.064 17.007 14.157 12.046 10.420 9.129 B672 K 8.079 7.208 6.474 5.847 5.306 K -0.3671948E+01 0.1111686E+05-0.7460013E-04-0.6211608E+04 0.4873577E+00 KBr 4 -1.000 5 1.000 7 1.000 9 KBr -3.814 -3.044 -2.397 -1.976 -1.680 -1.460 -1.290 -1.155 B674 KBr -1.045 -0.953 -0.876 -0.810 -0.752 KBr -0.5510992E-01-0.1129562E+04 0.9511387E-05-0.1528845E+04 0.1778979E-01 (KBr)2 4 -2.000 5 2.000 7 2.000 9 (KBr)2 -32.721 -24.838 -18.236 -13.952 -10.950 -8.732 -7.027 -5.676 B674 (KBr)2 -4.579 -3.672 -2.910 -2.260 -1.699 (KBr)2 0.9132689E+01-0.1179271E+05 0.5126719E-04-0.4522361E+04-0.9154139E+00 KCN 7 2.500 1-2.000 2 1.000 3-1.000 5 1.000 9 0.50037 KCN 22.484 18.587 15.353 13.279 11.844 10.796 10.000 9.377 JA71 KCN 8.876 8.465 8.123 7.834 7.586 KCN -0.6237727E+01 0.6332611E+04-0.3286732E-03-0.2179052E+05 0.3162396E+01 (KCl)2 2 2.000 9 (KCl)2 -26.636 -19.978 -14.403 -10.789 -8.258 -6.390 -4.955 -3.819 B674 (KCl)2 -2.899 -2.138 -1.499 -0.955 -0.486 (KCl)2 0.9693509E+01-0.1004186E+05 0.5646348E-04 0.2366806E+04-0.1088089E+01 KF 4 -1.000 5 1.000 6 1.000 9 KF 12.176 9.723 7.664 6.323 5.381 4.682 4.143 3.714 B674 KF 3.365 3.075 2.830 2.620 2.438 KF -0.3710018E+00 0.3648226E+04-0.5358949E-04 0.4778881E+03 0.1298602E+00 (KF)2 4 -2.000 5 2.000 6 2.000 9 (KF)2 -5.812 -3.267 -1.145 0.221 1.171 1.866 2.396 2.811 B674 (KF)2 3.145 3.418 3.645 3.836 3.999 (KF)2 0.1010638E+02-0.3982134E+04-0.5757558E-05 0.8403059E+04-0.1073018E+01 KH 4 1.000 1-1.000 5 1.000 9 KH 43.566 34.656 27.180 22.319 18.904 16.374 14.425 12.876 B677 KH 11.617 10.572 9.691 8.938 8.287 KH -0.1536102E+01 0.1319985E+05-0.7000654E-04 0.8805906E+04 0.3036458E+00 KO 5 -0.500 1 1.000 2-1.000 5 1.000 9 KO 72.912 57.592 44.697 36.285 30.361 25.961 22.564 19.861 B672 KO 17.659 15.830 14.286 12.966 11.824 KO 0.5955375E+00 0.2254548E+05 0.1389948E-03 0.1516679E+02-0.1351052E+01 KOH 4 1.000 2-1.000 5 1.000 9 KOH 23.194 18.571 14.666 12.107 10.296 8.946 7.899 7.062 JA74 KOH 6.377 5.806 5.323 4.908 4.547 KOH 0.4144579E+01 0.6642164E+04 0.9292703E-04 0.5287518E+04-0.1339997E+01 (KOH)2 4 2.000 2-2.000 5 2.000 9 (KOH)2 20.738 18.185 16.030 14.614 13.605 12.846 12.250 11.768 JA74 (KOH)2 11.369 11.031 10.740 10.487 10.264 (KOH)2 0.1224947E+02 0.3377069E+04-0.1491653E-03 0.3453839E+05-0.1286013E+01 KS 5 -0.500 1 1.000 4-1.000 5 1.000 9 KS 41.497 32.552 25.017 20.100 16.637 14.065 12.080 10.501 B689 KS 9.216 8.150 7.251 6.483 5.820 KS -0.1451464E-01 0.1316754E+05 0.2027717E-03-0.5111952E+04-0.1073200E+01 K2 4 1.000 1-2.000 5 2.000 9 K2 64.180 51.133 40.188 33.075 28.083 24.389 21.545 19.289 B672 K2 17.455 15.936 14.656 13.563 12.620 K2 -0.4388717E+01 0.1955454E+05-0.1561002E-03-0.6186608E+04 0.1252235E+01 K2S 4 1.000 4-2.000 5 2.000 9 K2S 44.022 35.255 27.875 23.064 19.678 17.166 15.228 13.688 B689 K2S 12.435 11.395 10.520 9.772 9.126 K2S 0.1858375E+01 0.1299203E+05 0.1253587E-03-0.8556191E+04-0.5467562E+00 K2SO4 6 -4.000 1 1.000 4-2.000 5 2.000 9 4.000 2 K2SO4 33.299 28.407 24.173 21.315 19.231 17.632 16.358 15.313 B677 K2SO4 14.438 13.693 13.049 12.486 11.989 K2SO4 0.3734129E+02 0.5500319E+04 0.7078367E-03 0.7618101E+05-0.9520713E+01 Li 4 0.500 1-1.000 5 1.00032 Li 43.739 34.449 26.641 21.557 17.985 15.337 13.295 11.674 B672 Li 10.355 9.261 8.339 7.551 6.870 Li -0.3512525E+01 0.1388722E+05-0.5165483E-04-0.1073071E+05 0.3272239E+00 LiAlF4 5 -1.000 5 1.000 6 1.00013 1.00032 LiAlF4 -38.909 -29.540 -21.690 -16.599 -13.037 -10.409 -8.393 -6.799 JA71 LiAlF4 -5.509 -4.443 -3.550 -2.791 -2.137 LiAlF4 0.1384602E+02-0.1434282E+05 0.7504358E-04 0.2700844E+05-0.2010605E+01 LiBr 4 -1.000 5 1.000 7 1.00032 LiBr -2.521 -2.011 -1.584 -1.305 -1.110 -0.965 -0.853 -0.764 B674 LiBr -0.691 -0.631 -0.580 -0.536 -0.498 LiBr 0.9403602E-01-0.7539342E+03 0.1671638E-04-0.8566021E+03-0.3299267E-01 (LiBr)2 4 -2.000 5 2.000 7 2.00032 (LiBr)2 -31.832 -24.029 -17.494 -13.255 -10.286 -8.092 -6.406 -5.071 B674 (LiBr)2 -3.988 -3.093 -2.340 -1.699 -1.146 (LiBr)2 0.9904311E+01-0.1170063E+05 0.4625396E-04-0.2340824E+04-0.1002122E+01 LiClO 4 -1.000 1 1.00032 1.000 2 LiClO 74.867 59.966 47.430 39.253 33.494 29.216 25.911 23.281 JA71 LiClO 21.137 19.356 17.852 16.565 15.452 LiClO 0.6049867E+01 0.2173906E+05 0.1692015E-03 0.2114877E+05-0.1771886E+01 (LiCl)2 2 2.00032 (LiCl)2 -28.395 -21.257 -15.278 -11.398 -8.682 -6.675 -5.134 -3.914 B674 (LiCl)2 -2.926 -2.108 -1.422 -0.838 -0.335 (LiCl)2 0.1002758E+02-0.1075122E+05 0.1460377E-04 0.3956486E+04-0.9746174E+00 (LiCl)3 2 3.00032 (LiCl)3 -50.079 -36.840 -25.737 -18.530 -13.482 -9.755 -6.894 -4.630 B674 (LiCl)3 -2.797 -1.282 -0.012 1.068 1.997 (LiCl)3 0.2224766E+02-0.2015176E+05-0.1423722E-04 0.3514611E+05-0.2072572E+01 LiF 4 -1.000 5 1.000 6 1.00032 LiF 6.380 5.095 4.019 3.320 2.830 2.467 2.188 1.965 B674 LiF 1.784 1.634 1.507 1.398 1.304 LiF -0.5483207E+00 0.1917720E+04-0.5429343E-04 0.1845754E+04 0.1987076E+00 LiFO 6 -1.000 1-1.000 5 1.000 6 1.00032 1.000 2 LiFO 92.799 74.265 58.675 48.508 41.349 36.032 31.926 28.657 JA71 LiFO 25.994 23.780 21.912 20.313 18.930 LiFO 0.6136278E+01 0.2710781E+05 0.1432569E-03 0.2245404E+05-0.1839858E+01 (LiF)2 4 -2.000 5 2.000 6 2.00032 (LiF)2 -25.542 -18.927 -13.371 -9.760 -7.229 -5.359 -3.922 -2.786 B674 (LiF)2 -1.865 -1.104 -0.466 0.077 0.543 (LiF)2 0.1029054E+02-0.1010831E+05-0.3818335E-04 0.2681772E+05-0.8969274E+00 (LiF)3 4 -3.000 5 3.000 6 3.00032 (LiF)3 -52.771 -39.220 -27.856 -20.483 -15.322 -11.513 -8.590 -6.280 B674 (LiF)3 -4.410 -2.868 -1.575 -0.477 0.467 (LiF)3 0.2170991E+02-0.2067648E+05-0.7204075E-04 0.4004131E+05-0.2247251E+01 LiH 4 1.000 1-1.000 5 1.00032 LiH 41.711 33.183 26.026 21.373 18.107 15.688 13.824 12.344 B677 LiH 11.140 10.141 9.300 8.580 7.959 LiH -0.2678155E+01 0.1273916E+05-0.1335163E-03-0.4932976E+03 0.6899742E+00 LiNaO 5 1.000 2-2.000 5 1.000 8 1.00032 LiNaO 56.940 45.511 35.908 29.655 25.258 21.996 19.480 17.480 JA71 LiNaO 15.851 14.500 13.359 12.385 11.542 LiNaO 0.1299950E+01 0.1683266E+05 0.1739658E-04 0.1128368E+05-0.3835370E+00 LiO 5 -0.500 1 1.000 2-1.000 5 1.00032 LiO 71.948 56.832 44.109 35.810 29.966 25.626 22.276 19.610 B672 LiO 17.438 15.634 14.112 12.810 11.684 LiO 0.1645414E+00 0.2227727E+05 0.1132376E-03-0.2253840E+04-0.1189474E+01 LiOH 4 1.000 2-1.000 5 1.00032 LiOH 19.595 15.690 12.387 10.218 8.682 7.534 6.643 5.930 JA74 LiOH 5.346 4.858 4.445 4.090 3.782 LiOH 0.4563374E+01 0.5551216E+04 0.1219552E-03 0.6439884E+04-0.1493703E+01 (LiOH)2 4 2.000 2-2.000 5 2.00032 (LiOH)2 4.585 5.344 5.979 6.381 6.651 6.841 6.976 7.076 JA74 (LiOH)2 7.149 7.203 7.243 7.272 7.292 (LiOH)2 0.1277872E+02-0.1603516E+04-0.1568036E-03 0.4462422E+05-0.1321804E+01 Li2 4 1.000 1-2.000 5 2.00032 Li2 72.317 57.635 45.306 37.288 31.658 27.489 24.278 21.730 B672 Li2 19.658 17.941 16.495 15.260 14.193 Li2 -0.4198863E+01 0.2203223E+05-0.1398651E-03-0.1684028E+05 0.1152017E+01 Li2ClF 4 -1.000 5 1.000 6 2.00032 Li2ClF -24.364 -17.946 -12.554 -9.048 -6.590 -4.773 -3.376 -2.270 JA71 Li2ClF -1.374 -0.633 -0.011 0.519 0.974 Li2ClF 0.1029176E+02-0.9799846E+04-0.1394124E-04 0.2596853E+05-0.8385299E+00 Li2O 4 1.000 2-2.000 5 2.00032 Li2O 49.850 39.945 31.602 26.154 22.312 19.456 17.248 15.489 BA73 Li2O 14.054 12.861 11.852 10.989 10.241 Li2O 0.4557486E+01 0.1447457E+05 0.9434661E-04 0.5497594E+04-0.1352007E+01 Li2O2 5 -1.000 1 2.000 2-2.000 5 2.00032 Li2O2 79.661 63.886 50.565 41.844 35.681 31.089 27.532 24.694 BA73 Li2O2 22.375 20.443 18.809 17.409 16.195 Li2O2 0.1221902E+02 0.2287145E+05 0.3272816E-03 0.2773924E+04-0.3798037E+01 Li2SO4 6 -4.000 1 1.000 4-2.000 5 2.00032 4.000 2 Li2SO4 35.426 30.013 25.342 22.199 19.916 18.169 16.780 15.645 B677 Li2SO4 14.696 13.888 13.192 12.584 12.048 Li2SO4 0.3638970E+02 0.6303833E+04 0.6593518E-03 0.7426433E+05-0.9351132E+01 Mg 4 1.000 1-2.000 5 1.00022 Mg 56.078 43.612 33.161 26.375 21.618 18.102 15.398 13.255 B672 Mg 11.516 10.076 8.866 7.834 6.943 Mg -0.1102038E+02 0.1879752E+05-0.1421507E-03-0.1230530E+05 0.1710281E+01 MgBr 5 0.500 1-2.000 5 1.000 7 1.00022 MgBr 32.572 25.220 19.062 15.070 12.275 10.213 8.629 7.377 B674 MgBr 6.361 5.523 4.818 4.219 3.703 MgBr -0.8303577E+01 0.1117111E+05-0.8581859E-04-0.1104239E+05 0.1437637E+01 MgBr2 4 -2.000 5 2.000 7 1.00022 MgBr2 -3.932 -3.148 -2.491 -2.063 -1.763 -1.540 -1.367 -1.230 B674 MgBr2 -1.118 -1.024 -0.945 -0.878 -0.819 MgBr2 -0.2846631E+00-0.1121542E+04 0.8730048E-05-0.5104518E+04 0.6834448E-01 (MgBr2)2 4 -4.000 5 4.000 7 2.00022 (MgBr2)2 -28.886 -21.630 -15.564 -11.635 -8.886 -6.857 -5.299 -4.066 B674 (MgBr2)2 -3.066 -2.240 -1.546 -0.955 -0.446 (MgBr2)2 0.1013041E+02-0.1081947E+05 0.5006362E-04-0.1477854E+05-0.1041216E+01 MgCl 4 0.500 1-1.000 5 1.00022 MgCl 40.891 31.864 24.301 19.394 15.957 13.417 11.466 9.921 B674 MgCl 8.667 7.631 6.760 6.018 5.379 MgCl -0.7728911E+01 0.1358862E+05-0.6133425E-04-0.3847329E+04 0.1254856E+01 MgClF 4 -1.000 5 1.000 6 1.00022 MgClF 0.840 0.692 0.584 0.523 0.487 0.464 0.450 0.441 JA71 MgClF 0.435 0.432 0.430 0.430 0.430 MgClF -0.1297762E+01 0.2385212E+03-0.2708787E-04 0.8411567E+04 0.5056372E+00 (MgCl2)2 2 2.00022 (MgCl2)2 -22.633 -16.678 -11.698 -8.474 -6.219 -4.557 -3.283 -2.275 B674 (MgCl2)2 -1.460 -0.788 -0.224 0.256 0.668 (MgCl2)2 0.1045310E+02-0.9004991E+04 0.2861771E-04 0.8649220E+03-0.1172567E+01 MgF 5 0.500 1-2.000 5 1.000 6 1.00022 MgF 38.693 30.102 22.909 18.244 14.978 12.565 10.712 9.244 B674 MgF 8.054 7.069 6.242 5.536 4.928 MgF -0.8456335E+01 0.1296821E+05-0.1340701E-03-0.3546782E+04 0.1508865E+01 MgF2 4 -2.000 5 2.000 6 1.00022 MgF2 4.550 3.585 2.793 2.289 1.942 1.689 1.497 1.347 B674 MgF2 1.226 1.127 1.044 0.974 0.914 MgF2 -0.2128604E+01 0.1458527E+04-0.8263053E-04 0.1040375E+05 0.6847173E+00 (MgF2)2 4 -4.000 5 4.000 6 2.00022 (MgF2)2 -28.111 -20.729 -14.525 -10.491 -7.664 -5.575 -3.972 -2.704 B674 (MgF2)2 -1.677 -0.830 -0.121 0.481 0.998 (MgF2)2 0.1122352E+02-0.1127736E+05-0.1554745E-03 0.3349360E+05-0.7438165E+00 MgH 4 1.500 1-2.000 5 1.00022 MgH 61.118 47.864 36.762 29.559 24.513 20.785 17.919 15.648 B677 MgH 13.805 12.279 10.996 9.902 8.958 MgH -0.1133228E+02 0.1999604E+05-0.2444173E-03-0.6484093E+04 0.2234489E+01 MgO 4 1.000 2-2.000 5 1.00022 MgO 82.637 64.755 49.724 39.928 33.033 27.915 23.963 20.818 B672 MgO 18.254 16.124 14.325 12.784 11.450 MgO -0.3764015E+01 0.2629522E+05-0.8644056E-04 0.1753931E+05-0.7942040E+00 MgOH 5 0.500 1 1.000 2-2.000 5 1.00022 MgOH 46.308 36.280 27.862 22.385 18.538 15.687 13.490 11.745 JA78 MgOH 10.326 9.149 8.158 7.311 6.580 MgOH -0.3326454E+01 0.1480451E+05 0.3159383E-04 0.1090282E+05-0.6148862E-01 Mg(OH)2 4 2.000 2-2.000 5 1.00022 Mg(OH)2 21.577 17.377 13.830 11.502 9.851 8.616 7.656 6.886 JA74 Mg(OH)2 6.255 5.727 5.278 4.892 4.556 Mg(OH)2 0.6787552E+01 0.5792941E+04 0.1372108E-03 0.2669924E+05-0.2013187E+01 MgS 4 1.000 4-2.000 5 1.00022 MgS 59.387 46.225 35.153 27.929 22.841 19.060 16.139 13.814 B689 MgS 11.919 10.344 9.015 7.878 6.895 MgS 0.2856648E+00 0.1906170E+05 0.2591852E-03 0.3057525E+05-0.2122977E+01 Mg2 4 2.000 1-4.000 5 2.00022 Mg2 113.901 89.191 68.500 55.087 45.701 38.775 33.458 29.253 B672 Mg2 25.846 23.031 20.668 18.658 16.927 Mg2 -0.2385527E+02 0.3755232E+05-0.2871873E-03-0.3507208E+05 0.4964925E+01 Mn 4 1.000 1-2.000 5 1.00028 Mn 57.132 44.333 33.615 26.666 21.802 18.211 15.454 13.271 B672 Mn 11.502 10.040 8.811 7.765 6.863 Mn -0.1420163E+02 0.1943355E+05-0.2108468E-03-0.1609742E+05 0.2585306E+01 MnBr2 4 -2.000 5 2.000 7 1.00028 MnBr2 -8.766 -6.801 -5.141 -4.052 -3.280 -2.702 -2.253 -1.894 BA73 MnBr2 -1.599 -1.353 -1.144 -0.965 -0.809 MnBr2 -0.2268134E+01-0.2681417E+04-0.1105788E-03-0.1466995E+05 0.1088586E+01 MnF2 4 -2.000 5 2.000 6 1.00028 MnF2 16.781 13.326 10.445 8.582 7.281 6.321 5.585 5.002*B674 MnF2 4.530 4.138 3.809 3.528 3.286 MnF2 -0.3060981E+01 0.5194358E+04-0.1430614E-03 0.8724429E+04 0.9555660E+00 Mo 4 3.000 1 1.00017-4.000 2 Mo 85.186 66.122 50.215 39.953 32.807 27.562 23.557 20.405 B672 Mo 17.865 15.777 14.033 12.556 11.289 Mo -0.3507348E+02 0.2988146E+05-0.5306822E-03-0.7196538E+05 0.8488528E+01 MoBr 5 2.500 1 1.000 7 1.00017-4.000 2 MoBr 58.621 45.376 34.355 27.271 22.358 18.766 16.036 13.897 B674 MoBr 12.180 10.776 9.608 8.622 7.782 MoBr -0.3169874E+02 0.2119736E+05-0.4601456E-03-0.7031568E+05 0.8143910E+01 MoBr2 5 2.000 1 2.000 7 1.00017-4.000 2 MoBr2 18.472 14.132 10.548 8.269 6.711 5.590 4.751 4.106 B674 MoBr2 3.599 3.192 2.860 2.586 2.358 MoBr2 -0.1902693E+02 0.7548738E+04-0.1887043E-03-0.6250157E+05 0.5229291E+01 MoBr3 5 1.500 1 3.000 7 1.00017-4.000 2 MoBr3 -1.799 -1.228 -0.677 -0.256 0.088 0.378 0.630 0.852 B674 MoBr3 1.050 1.228 1.389 1.537 1.672 MoBr3 -0.1710588E+02 0.3678024E+03-0.3462911E-03-0.6362247E+05 0.6018407E+01 MoBr4 5 1.000 1-4.000 2 4.000 7 1.00017 MoBr4 -19.269 -14.258 -9.999 -7.180 -5.164 -3.642 -2.446 -1.479 B674 MoBr4 -0.678 -0.003 0.576 1.079 1.520 MoBr4 -0.7658578E+01-0.6491128E+04-0.1698786E-03-0.5454290E+05 0.4374772E+01 MoCl4 5 1.000 1-4.000 2 4.000 5 1.00017 MoCl4 -17.544 -12.877 -8.901 -6.265 -4.376 -2.949 -1.828 -0.921 B674 MoCl4 -0.169 0.466 1.009 1.481 1.894 MoCl4 -0.7346092E+01-0.6065959E+04-0.2074835E-03-0.4246958E+05 0.4318952E+01 MoCl5 5 0.500 1 5.000 5 1.00017-4.000 2 MoCl5 -7.370 -3.752 -0.678 1.355 2.807 3.902 4.761 5.454 B674 MoCl5 6.027 6.510 6.923 7.281 7.594 MoCl5 0.1525353E+01-0.4740169E+04-0.1499075E-03-0.3466807E+05 0.3005898E+01 MoCl6 4 6.000 5 1.00017-4.000 2 MoCl6 15.471 15.532 15.592 15.642 15.688 15.730 15.770 15.807 B674 MoCl6 15.842 15.875 15.906 15.935 15.962 MoCl6 0.1096110E+02 0.3199794E+03-0.6062873E-04-0.3227086E+05 0.1542862E+01 MoF 5 2.500 1 1.000 6 1.00017-4.000 2 MoF 69.464 54.024 41.164 32.886 27.134 22.920 19.710 17.190 B674 MoF 15.163 13.500 12.114 10.942 9.939 MoF -0.3197272E+02 0.2441548E+05-0.5143899E-03-0.6257448E+05 0.8245924E+01 MoF2 5 2.000 1 2.000 6 1.00017-4.000 2 MoF2 43.608 34.222 26.423 21.418 17.952 15.423 13.503 12.002 B674 MoF2 10.799 9.816 8.999 8.312 7.725 MoF2 -0.2270485E+02 0.1515466E+05-0.4078593E-03-0.5472113E+05 0.6555399E+01 MoF3 5 1.500 1 3.000 6 1.00017-4.000 2 MoF3 18.049 14.690 11.958 10.251 9.101 8.284 7.682 7.225 B674 MoF3 6.868 6.586 6.357 6.170 6.014 MoF3 -0.1707427E+02 0.6035968E+04-0.4948656E-03-0.3451117E+05 0.6229399E+01 MoF4 5 1.000 1-4.000 2 4.000 6 1.00017 MoF4 10.202 9.207 8.447 8.011 7.744 7.575 7.466 7.396 B674 MoF4 7.352 7.325 7.310 7.303 7.302 MoF4 -0.8999691E+01 0.2243559E+04-0.3913258E-03-0.1831476E+05 0.4849347E+01 MoF5 5 0.500 1 5.000 6 1.00017-4.000 2 MoF5 11.309 11.027 10.849 10.772 10.744 10.740 10.750 10.767 B674 MoF5 10.787 10.809 10.832 10.854 10.874 MoF5 0.1512530E+01 0.7511100E+03-0.3065571E-03 0.9379950E+04 0.2935216E+01 MoF6 4 6.000 6 1.00017-4.000 2 MoF6 9.283 10.510 11.590 12.324 12.858 13.267 13.590 13.852 B674 MoF6 14.069 14.252 14.407 14.541 14.656 MoF6 0.8688565E+01-0.1602555E+04-0.3523325E-03 0.1454504E+05 0.2388725E+01 MoO 4 2.000 1-3.000 2 1.00017 MoO 66.493 51.156 38.354 30.093 24.343 20.122 16.901 14.369 B672 MoO 12.329 10.654 9.256 8.074 7.061 MoO -0.3036007E+02 0.2412202E+05-0.3222928E-03-0.7027980E+05 0.6803187E+01 MoOF4 4 1.00017-3.000 2 4.000 6 MoOF4 1.640 2.949 4.099 4.881 5.452 5.890 6.239 6.524 JA71 MoOF4 6.763 6.965 7.139 7.291 7.424 MoOF4 0.1813063E+01-0.1715229E+04-0.1821118E-03 0.1218413E+05 0.2221499E+01 MoO2 4 1.000 1-2.000 2 1.00017 MoO2 54.122 41.506 30.975 24.178 19.444 15.969 13.316 11.230 B672 MoO2 9.549 8.169 7.018 6.044 5.210 MoO2 -0.2357167E+02 0.1968477E+05-0.1400073E-03-0.4516217E+05 0.4938634E+01 MoO2Cl2 4 -2.000 2 2.000 5 1.00017 MoO2Cl2 -13.464 -10.598 -8.158 -6.543 -5.387 -4.514 -3.827 -3.271 JA71 MoO2Cl2 -2.810 -2.419 -2.084 -1.793 -1.537 MoO2Cl2 -0.5803575E+01-0.3800257E+04 0.1312087E-04-0.2302503E+05 0.2158322E+01 MoO3 3 -1.000 2 1.00017 MoO3 39.927 30.689 22.963 17.965 14.477 11.911 9.949 8.404 B672 MoO3 7.157 6.131 5.275 4.549 3.928 MoO3 -0.1430209E+02 0.1429074E+05 0.8470710E-05-0.3275637E+05 0.2692972E+01 N 2 0.50037 N 79.805 63.154 49.149 40.020 33.595 28.826 25.146 22.219 B672 N 19.835 17.856 16.186 14.758 13.523 N -0.2694417E+00 0.2455531E+05 0.8054529E-04 0.2785197E+04-0.9456169E+00 NBr 4 -0.500 1 1.000 7 0.50037 NBr 58.745 46.867 36.875 30.360 25.773 22.368 19.739 17.648 B674 NBr 15.944 14.530 13.336 12.315 11.433 NBr 0.2736265E+01 0.1743296E+05 0.1163483E-03 0.8054149E+04-0.1045495E+01 CN 5 2.000 1-2.000 2 1.000 3 0.50037 CN 63.616 50.748 39.978 33.000 28.120 24.521 21.759 19.575 B677 CN 17.806 16.344 15.117 14.073 13.173 CN -0.1026488E+02 0.1969273E+05-0.2935081E-03-0.2606985E+05 0.3318711E+01 CBrN 6 1.500 1-2.000 2 1.000 3 1.000 7 0.50037 CBrN 27.284 22.634 18.754 16.250 14.503 13.218 12.235 11.459 JA71 CBrN 10.831 10.313 9.878 9.509 9.190 CBrN 0.2417550E+01 0.6838595E+04 0.3794745E-04 0.2733924E+05 0.6515849E+00 ClCN 6 1.500 1-2.000 2 1.000 3 1.000 5 0.50037 ClCN 28.642 23.723 19.622 16.974 15.127 13.768 12.728 11.907 JA71 ClCN 11.242 10.694 10.234 9.842 9.504 ClCN -0.1541287E+01 0.7576928E+04-0.2342676E-03-0.3617189E+04 0.1972399E+01 HCN 5 2.500 1-2.000 2 1.000 3 0.50037 HCN 10.845 9.287 8.032 7.254 6.734 6.367 6.096 5.891 JA71 HCN 5.732 5.605 5.502 5.417 5.346 HCN -0.6593767E+01 0.2788236E+04-0.3541718E-03-0.5679096E+04 0.3336700E+01 CNC 5 4.000 1-4.000 2 2.000 3 0.50037 CNC 69.000 55.790 44.761 37.634 32.662 29.003 26.201 23.990 JA71 CNC 22.203 20.728 19.492 18.442 17.538 CNC -0.1060886E+02 0.2035930E+05-0.4296488E-03-0.2131336E+05 0.4724830E+01 CF3CN 6 2.500 1-4.000 2 2.000 3 3.000 6 0.50037 CF3CN 41.839 36.804 32.650 29.993 28.152 26.803 25.774 24.963 JA71 CF3CN 24.307 23.765 23.310 22.922 22.587 CF3CN 0.8631461E+01 0.7576080E+04-0.4958403E-03 0.4518685E+05 0.3005465E+01 NCO 5 1.000 1-1.000 2 1.000 3 0.50037 NCO 55.499 44.555 35.378 29.416 25.232 22.136 19.753 17.862 JA71 NCO 16.325 15.052 13.980 13.065 12.274 NCO -0.1352895E+01 0.1631679E+05-0.9300731E-04 0.4905071E+04 0.8477217E+00 NF 4 -0.500 1 1.000 6 0.50037 NF 90.915 72.524 57.065 46.993 39.908 34.650 30.594 27.368 B674 NF 24.741 22.560 20.720 19.147 17.786 NF 0.1934733E+01 0.2709207E+05 0.4595863E-04 0.1243030E+05-0.8246363E+00 NF2 4 -1.000 1 2.000 6 0.50037 NF2 106.434 85.701 68.277 56.924 48.936 43.007 38.430 34.789 B674 NF2 31.822 29.358 27.278 25.499 23.959 NF2 0.7543004E+01 0.3037098E+05 0.5173403E-04 0.3222160E+05-0.1354506E+01 NF3 4 -1.500 1 3.000 6 0.50037 NF3 128.865 104.649 84.294 71.025 61.683 54.743 49.381 45.112 B674 NF3 41.631 38.737 36.292 34.198 32.384 NF3 0.1596942E+02 0.3523411E+05 0.5465532E-04 0.5749691E+05-0.2401877E+01 NH 3 0.500 1 0.50037 NH 64.918 51.659 40.519 33.267 28.169 24.390 21.478 19.163 JA82 NH 17.281 15.719 14.402 13.278 12.306 NH -0.1245553E+01 0.1968599E+05-0.7502547E-05-0.1569218E+04 0.6316237E-01 HNCO 5 1.500 1-1.000 2 1.000 3 0.50037 HNCO 45.230 36.983 30.092 25.631 22.511 20.209 18.441 17.042 JA74 HNCO 15.907 14.968 14.179 13.507 12.927 HNCO -0.4847380E+00 0.1236951E+05-0.1848622E-03 0.1404778E+05 0.1666779E+01 NH2 3 1.000 1 0.50037 NH2 35.007 28.316 22.718 19.089 16.547 14.670 13.227 12.084 JA82 NH2 11.156 10.388 9.742 9.191 8.715 NH2 -0.1432144E+01 0.1003316E+05-0.1324147E-03 0.6327828E+04 0.1113791E+01 NH3 3 1.500 1 0.50037 NH3 -2.873 -1.230 0.199 1.159 1.852 2.377 2.789 3.122 JA82 NH3 3.395 3.625 3.819 3.987 4.132 NH3 -0.2604169E+00-0.2318618E+04-0.2952899E-03 0.2320423E+05 0.2017066E+01 NO 4 -1.000 1 1.000 2 0.50037 NO 55.210 43.505 33.644 27.205 22.667 19.293 16.687 14.611 B672 NO 12.918 11.512 10.324 9.308 8.428 NO 0.1227728E+01 0.1716951E+05 0.1401681E-03-0.5494240E+03-0.1471100E+01 NOBr 5 -1.500 1 1.000 2 1.000 7 0.50037 NOBr 63.846 51.144 40.440 33.444 28.508 24.836 21.995 19.731 JA71 NOBr 17.884 16.347 15.049 13.937 12.975 NOBr 0.8472890E+01 0.1837858E+05 0.2844842E-03 0.1845499E+05-0.2651700E+01 ONCl 5 -1.500 1 1.000 2 1.000 5 0.50037 ONCl 68.317 54.718 43.260 35.774 30.494 26.565 23.526 21.104 JA75 ONCl 19.127 17.483 16.093 14.903 13.873 ONCl 0.8585298E+01 0.1967995E+05 0.2532639E-03 0.2248607E+05-0.2668718E+01 ONF 5 -1.500 1 1.000 2 1.000 6 0.50037 ONF 79.480 63.645 50.316 41.614 35.480 30.920 27.395 24.587 JA71 ONF 22.296 20.392 18.783 17.405 16.213 ONF 0.8347744E+01 0.2297477E+05 0.2307028E-03 0.2834954E+05-0.2551397E+01 HNO 4 -0.500 1 1.000 2 0.50037 HNO 59.733 47.711 37.604 31.014 26.375 22.931 20.270 18.154 JA71 HNO 16.429 14.995 13.786 12.751 11.856 HNO 0.3844276E+01 0.1752430E+05 0.1177794E-03 0.2258402E+05-0.1284032E+01 NO2 4 -2.000 1 2.000 2 0.50037 NO2 89.083 70.869 55.527 45.507 38.442 33.188 29.126 25.889 B672 NO2 23.249 21.053 19.198 17.610 16.235 NO2 0.7322207E+01 0.2648920E+05 0.2714202E-03 0.2109118E+05-0.2991630E+01 NO2Cl 5 -2.500 1 2.000 2 1.000 5 0.50037 NO2Cl 106.234 85.509 68.045 56.630 48.573 42.575 37.932 34.229 JA71 NO2Cl 31.205 28.687 26.558 24.734 23.153 NO2Cl 0.1747615E+02 0.2979012E+05 0.4138374E-03 0.5088833E+05-0.4790803E+01 HNO2-CIS 4 -1.500 1 2.000 2 0.50037 HNO2-CIS 72.747 58.411 46.335 38.444 32.874 28.727 25.517 22.956 JA71 HNO2-CIS 20.864 19.123 17.650 16.387 15.292 HNO2-CIS 0.1169013E+02 0.2053505E+05 0.2728195E-03 0.4483187E+05-0.3396205E+01 HNO2-TRA 4 -1.500 1 2.000 2 0.50037 HNO2-TRA 72.390 58.126 46.110 38.257 32.713 28.585 25.390 22.840 JA71 HNO2-TRA 20.758 19.024 17.558 16.300 15.211 HNO2-TRA 0.1220785E+02 0.2039326E+05 0.3088079E-03 0.4705438E+05-0.3571961E+01 NO3 4 -3.000 1 3.000 2 0.50037 NO3 140.474 112.402 88.751 73.295 62.387 54.269 47.986 42.976 JA71 NO3 38.885 35.480 32.602 30.136 28.000 NO3 0.2007811E+02 0.4035061E+05 0.5955311E-03 0.7094401E+05-0.6432292E+01 HNO3 4 -2.500 1 3.000 2 0.50037 HNO3 107.171 86.342 68.795 57.324 49.225 43.192 38.519 34.790 JA71 HNO3 31.742 29.203 27.055 25.213 23.615 HNO3 0.2048775E+02 0.2965900E+05 0.4459491E-03 0.7974005E+05-0.5586511E+01 NS 4 -1.000 1 1.000 4 0.50037 NS 47.340 37.273 28.787 23.242 19.331 16.424 14.176 12.387 B689 NS 10.928 9.716 8.694 7.820 7.064 NS 0.3097260E+01 0.1464116E+05 0.3042689E-03 0.5458404E+04-0.2027159E+01 CNN 5 2.000 1-2.000 2 1.000 3 1.00037 CNN 89.599 72.210 57.640 48.183 41.556 36.657 32.890 29.904 JA71 CNN 27.481 25.475 23.787 22.348 21.106 CNN -0.3918750E+01 0.2613961E+05-0.2348037E-03-0.3800640E+04 0.2407758E+01 NCN 5 2.000 1-2.000 2 1.000 3 1.00037 NCN 70.316 56.861 45.592 38.281 33.157 29.370 26.457 24.149 JA74 NCN 22.275 20.723 19.417 18.303 17.341 NCN -0.2082013E+01 0.2017955E+05-0.2210626E-03 0.5125874E+04 0.1909004E+01 C2N2 5 4.000 1-4.000 2 2.000 3 1.00037 C2N2 30.132 25.631 21.928 19.577 17.966 16.800 15.921 15.238 BA73 C2N2 14.692 14.248 13.879 13.568 13.303 C2N2 -0.9142834E+01 0.7595918E+04-0.6839958E-03-0.2645650E+05 0.5778935E+01 C4N2 5 8.000 1-8.000 2 4.000 3 1.00037 C4N2 45.488 39.470 34.566 31.490 29.406 27.916 26.808 25.957 JA71 C4N2 25.287 24.748 24.306 23.938 23.627 C4N2 -0.1495206E+02 0.1055692E+05-0.1101562E-02-0.4049300E+05 0.1043305E+02 N2F2-CIS 4 -1.000 1 2.000 6 1.00037 N2F2-CIS 115.538 93.882 75.688 63.833 55.489 49.293 44.508 40.699 B674 N2F2-CIS 37.594 35.013 32.833 30.966 29.349 N2F2-CIS 0.1353395E+02 0.3154061E+05 0.5365658E-05 0.5423509E+05-0.1776340E+01 N2F2-TRA 4 -1.000 1 2.000 6 1.00037 N2F2-TRA 117.588 95.487 76.912 64.807 56.287 49.960 45.073 41.183 B674 N2F2-TRA 38.012 35.376 33.149 31.243 29.592 N2F2-TRA 0.1293465E+02 0.3227879E+05-0.1787081E-04 0.4391451E+05-0.1656471E+01 N2F4 4 -2.000 1 4.000 6 1.00037 N2F4 206.969 168.775 136.667 115.732 100.988 90.032 81.564 74.820 B674 N2F4 69.317 64.741 60.872 57.558 54.686 N2F4 0.2999512E+02 0.5546795E+05 0.2412552E-04 0.9894566E+05-0.4116788E+01 N2H2-CIS 3 1.000 1 1.00037 N2H2-CIS 42.719 35.246 29.010 24.973 22.147 20.059 18.453 17.179 JA71 N2H2-CIS 16.144 15.286 14.563 13.945 13.411 N2H2-CIS 0.3403952E+01 0.1093463E+05-0.1791897E-03 0.4306493E+05 0.8927615E+00 N2H4 3 2.000 1 1.00037 N2H4 27.884 24.568 21.847 20.107 18.899 18.010 17.327 16.785 JA71 N2H4 16.344 15.977 15.666 15.399 15.166 N2H4 0.9659866E+01 0.4520070E+04-0.3130641E-03 0.8200256E+05 0.9030905E+00 N2O 4 -1.000 1 1.000 2 1.00037 N2O 58.294 46.883 37.275 31.001 26.577 23.286 20.740 18.711 B672 N2O 17.054 15.675 14.510 13.510 12.644 N2O 0.6900633E+01 0.1655541E+05 0.7767695E-04 0.2056382E+05-0.1773426E+01 N2O3 4 -3.000 1 3.000 2 1.00037 N2O3 144.718 116.197 92.163 76.458 65.376 57.131 50.750 45.663 B672 N2O3 41.510 38.053 35.131 32.627 30.457 N2O3 0.1862789E+02 0.4134299E+05 0.3863656E-03 0.3988898E+05-0.5309829E+01 N2O4 4 -4.000 1 4.000 2 1.00037 N2O4 177.317 142.896 113.880 94.906 81.509 71.532 63.806 57.641 B672 N2O4 52.604 48.409 44.858 41.814 39.173 N2O4 0.2871430E+02 0.4962302E+05 0.4806370E-03 0.6572436E+05-0.7563931E+01 N2O5 4 -5.000 1 5.000 2 1.00037 N2O5 220.889 177.860 141.568 117.824 101.051 88.555 78.874 71.148 B672 N2O5 64.834 59.574 55.123 51.306 47.996 N2O5 0.3913465E+02 0.6183683E+05 0.8413381E-03 0.8564839E+05-0.1085569E+02 N3 2 1.50037 N3 75.747 61.164 48.911 40.925 35.305 31.132 27.909 25.345 JA74 N3 23.254 21.517 20.050 18.795 17.708 N3 0.7447183E+01 0.2123337E+05 0.6462902E-04 0.3499355E+05-0.1345859E+01 Na 4 0.500 1-1.000 5 1.000 8 Na 31.280 24.517 18.837 15.141 12.546 10.623 9.142 7.965 B672 Na 7.009 6.215 5.547 4.976 4.483 Na -0.3526428E+01 0.1011475E+05-0.5532236E-04-0.5374458E+04 0.3873138E+00 NaAlF4 5 -1.000 5 1.000 6 1.000 8 1.00013 NaAlF4 -44.847 -34.291 -25.447 -19.712 -15.697 -12.735 -10.460 -8.662 JA71 NaAlF4 -7.205 -6.002 -4.992 -4.133 -3.394 NaAlF4 0.1377142E+02-0.1606923E+05 0.7739830E-04 0.2121830E+05-0.2014079E+01 NaBr 4 -1.000 5 1.000 7 1.000 8 NaBr -3.900 -3.113 -2.452 -2.022 -1.719 -1.494 -1.321 -1.183 B674 NaBr -1.071 -0.977 -0.899 -0.831 -0.773 NaBr -0.1573210E+00-0.1148452E+04-0.2342788E-05-0.1909018E+04 0.5311691E-01 (NaBr)2 4 -2.000 5 2.000 7 2.000 8 (NaBr)2 -35.945 -27.323 -20.099 -15.410 -12.124 -9.695 -7.827 -6.347 B674 (NaBr)2 -5.146 -4.152 -3.316 -2.604 -1.990 (NaBr)2 0.9505400E+01-0.1288924E+05 0.3667609E-04-0.4035987E+04-0.8831313E+00 (NaCl)2 2 2.000 8 (NaCl)2 -31.158 -23.497 -17.079 -12.916 -9.999 -7.844 -6.189 -4.878 B674 (NaCl)2 -3.815 -2.936 -2.197 -1.568 -1.026 (NaCl)2 0.1004800E+02-0.1152451E+05 0.4513221E-04 0.2283839E+04-0.1047412E+01 NaF 4 -1.000 5 1.000 6 1.000 8 NaF 11.590 9.252 7.291 6.014 5.117 4.451 3.938 3.530 B674 NaF 3.197 2.921 2.688 2.488 2.315 NaF -0.2499309E-01 0.3440256E+04-0.2967682E-04 0.4331110E+04 0.1469501E-01 (NaF)2 4 -2.000 5 2.000 6 2.000 8 (NaF)2 -12.350 -8.337 -4.971 -2.789 -1.264 -0.139 0.722 1.401 B674 (NaF)2 1.950 2.402 2.779 3.099 3.374 (NaF)2 0.1058581E+02-0.6216873E+04-0.3071957E-04 0.2077343E+05-0.9330968E+00 NaH 4 1.000 1-1.000 5 1.000 8 NaH 36.819 29.270 22.938 18.823 15.934 13.795 12.147 10.838 B677 NaH 9.774 8.891 8.147 7.511 6.960 NaH -0.2560720E+01 0.1126124E+05-0.1329942E-03 0.2777029E+04 0.6537920E+00 NaO 5 -0.500 1 1.000 2-1.000 5 1.000 8 NaO 68.524 54.082 41.925 33.993 28.407 24.259 21.055 18.505 B672 NaO 16.428 14.703 13.247 12.001 10.924 NaO 0.4074270E+00 0.2125519E+05 0.1286965E-03-0.8045954E+03-0.1294435E+01 NaOH 4 1.000 2-1.000 5 1.000 8 NaOH 22.666 18.135 14.305 11.795 10.019 8.693 7.665 6.843 JA74 NaOH 6.171 5.610 5.135 4.728 4.374 NaOH 0.4429959E+01 0.6484993E+04 0.1201843E-03 0.6389310E+04-0.1463919E+01 (NaOH)2 4 2.000 2-2.000 5 2.000 8 (NaOH)2 15.994 14.416 13.083 12.201 11.569 11.088 10.708 10.397 JA74 (NaOH)2 10.136 9.913 9.720 9.550 9.399 (NaOH)2 0.1282619E+02 0.1878560E+04-0.1213669E-03 0.4009861E+05-0.1433756E+01 Na2 4 1.000 1-2.000 5 2.000 8 Na2 52.927 42.151 33.112 27.239 23.119 20.071 17.726 15.865 B672 Na2 14.354 13.101 12.047 11.147 10.370 Na2 -0.4620849E+01 0.1622447E+05-0.1665684E-03-0.1079673E+05 0.1334369E+01 Na2SO4 6 -4.000 1 1.000 4-2.000 5 2.000 8 4.000 2 Na2SO4 30.802 26.422 22.621 20.045 18.162 16.711 15.551 14.598 B677 Na2SO4 13.798 13.114 12.521 12.003 11.544 Na2SO4 0.3692263E+02 0.4760627E+04 0.6715842E-03 0.7619627E+05-0.9353720E+01 Ni 4 1.000 1-2.000 5 1.00027 Ni 48.690 37.581 28.272 22.233 18.002 14.877 12.475 10.574 B672 Ni 9.032 7.756 6.684 5.771 4.983 Ni -0.1217438E+02 0.1681692E+05-0.1447107E-03-0.1356522E+05 0.1881613E+01 NiBr 5 0.500 1-2.000 5 1.000 7 1.00027 NiBr 14.732 11.007 7.906 5.910 4.523 3.507 2.733 2.125 B674 NiBr 1.635 1.234 0.899 0.616 0.374 NiBr -0.9359808E+01 0.5844421E+04-0.1112727E-03-0.1000541E+05 0.1873258E+01 NiBr2 4 -2.000 5 2.000 7 1.00027 NiBr2 -5.190 -4.142 -3.264 -2.693 -2.292 -1.994 -1.764 -1.581 B674 NiBr2 -1.432 -1.308 -1.204 -1.114 -1.037 NiBr2 -0.5894248E+00-0.1478873E+04-0.2051174E-04-0.8491131E+04 0.1863871E+00 Ni(CO)4 6 5.000 1-4.000 2 4.000 3-2.000 5 1.00027 Ni(CO)4 -5.442 -1.581 1.713 3.901 5.471 6.657 7.589 8.342 JA82 Ni(CO)4 8.963 9.486 9.931 10.316 10.650 Ni(CO)4 -0.1530544E+01-0.4727897E+04-0.5965256E-03-0.5348877E+05 0.5142797E+01 NiCl 4 0.500 1-1.000 5 1.00027 NiCl 23.760 18.214 13.584 10.592 8.506 6.971 5.797 4.871 B674 NiCl 4.123 3.507 2.991 2.553 2.177 NiCl -0.9570731E+01 0.8554262E+04-0.1311079E-03-0.1029599E+05 0.1937604E+01 NiF 5 0.500 1-2.000 5 1.000 6 1.00027 NiF 42.203 32.939 25.189 20.169 16.657 14.066 12.078 10.505 B674 NiF 9.230 8.176 7.291 6.538 5.888 NiF -0.1014483E+02 0.1406982E+05-0.1969920E-03-0.6711813E+04 0.2138529E+01 NiF2 4 -2.000 5 2.000 6 1.00027 NiF2 16.886 13.490 10.651 8.811 7.521 6.567 5.833 5.250 B674 NiF2 4.776 4.382 4.050 3.767 3.521 NiF2 -0.1036658E+01 0.5004406E+04-0.9851014E-04 0.1353883E+05 0.4101491E+00 NiH 4 1.500 1-2.000 5 1.00027 NiH 44.163 34.362 26.174 20.881 17.187 14.467 12.384 10.739 B677 NiH 9.409 8.311 7.391 6.609 5.936 NiH -0.1449276E+02 0.1509744E+05-0.3055723E-03-0.1767614E+05 0.3357829E+01 NiO 4 1.000 2-2.000 5 1.00027 NiO 69.890 54.502 41.580 33.174 27.269 22.896 19.527 16.853 B672 NiO 14.679 12.878 11.361 10.065 8.947 NiO -0.8167015E+01 0.2292748E+05-0.1923076E-05-0.5028210E+04 0.4910159E+00 NiS 4 1.000 4-2.000 5 1.00027 NiS 39.828 30.546 22.756 17.693 14.142 11.516 9.496 7.896 B689 NiS 6.597 5.524 4.622 3.854 3.192 NiS -0.8203602E+01 0.1391919E+05 0.8269671E-04-0.9539882E+04 0.5775362E+00 O 3 -1.000 1 1.000 2 O 80.646 63.337 48.753 39.228 32.514 27.523 23.665 20.593 B672 O 18.089 16.007 14.249 12.744 11.442 O 0.1000415E+01 0.2539153E+05 0.2136860E-03-0.2688393E+04-0.2243551E+01 O3 3 -3.000 1 3.000 2 O3 148.796 118.181 92.388 75.539 63.656 54.820 47.987 42.543 B672 O3 38.102 34.409 31.289 28.618 26.306 O3 0.1176748E+02 0.4454433E+05 0.5020963E-03 0.2894364E+05-0.5192803E+01 Pb 4 1.000 1-2.000 5 1.00016 Pb 27.131 20.622 15.170 11.633 9.155 7.325 5.919 4.804 B672 Pb 3.900 3.151 2.521 1.984 1.520 Pb -0.9330298E+01 0.9894751E+04-0.1780478E-03-0.9737886E+04 0.1388892E+01 PbBr 5 0.500 1-2.000 5 1.000 7 1.00016 PbBr 13.552 10.151 7.305 5.462 4.173 3.223 2.494 1.917 B674 PbBr 1.451 1.065 0.741 0.466 0.228 PbBr -0.6231277E+01 0.5221019E+04-0.9342059E-04-0.7772424E+04 0.9647385E+00 PbBr2 4 -2.000 5 2.000 7 1.00016 PbBr2 -7.319 -5.835 -4.590 -3.780 -3.210 -2.787 -2.461 -2.201 B674 PbBr2 -1.989 -1.813 -1.665 -1.537 -1.427 PbBr2 -0.2966629E+00-0.2149385E+04 0.4495580E-05-0.6076404E+04 0.1025492E+00 PbBr4 $5 -1.000 1-2.000 5 4.000 7 1.00016 PbBr4 -46.842 -35.549 -26.111 -20.002 -15.734 -12.587 -10.174 -8.267 B674 PbBr4 -6.723 -5.449 -4.379 -3.470 -2.687 PbBr4 0.1708409E+02-0.1711750E+05 0.1760157E-03 0.2516459E+03-0.2654748E+01 PbCl 4 0.500 1-1.000 5 1.00016 PbCl 13.621 10.218 7.371 5.527 4.238 3.287 2.557 1.980 B674 PbCl 1.512 1.126 0.801 0.525 0.287 PbCl -0.5803642E+01 0.5184658E+04-0.7960336E-04-0.3733422E+04 0.8490773E+00 PbCl4 $4 -1.000 1 2.000 5 1.00016 PbCl4 -24.612 -17.811 -12.141 -8.485 -5.941 -4.073 -2.646 -1.524 B674 PbCl4 -0.619 0.125 0.746 1.272 1.722 PbCl4 0.1721021E+02-0.1052664E+05 0.1325630E-03 0.1033310E+05-0.2696198E+01 PbF 5 0.500 1-2.000 5 1.000 6 1.00016 PbF 28.446 22.029 16.652 13.162 10.716 8.907 7.516 6.412 B674 PbF 5.516 4.774 4.150 3.616 3.156 PbF -0.6016651E+01 0.9631455E+04-0.1119445E-03 0.5134924E+03 0.8835307E+00 PbF2 4 -2.000 5 2.000 6 1.00016 PbF2 17.586 14.037 11.062 9.128 7.769 6.761 5.983 5.365 B674 PbF2 4.861 4.442 4.088 3.785 3.523 PbF2 0.1919568E+00 0.5170845E+04-0.4754702E-04 0.1381241E+05-0.3646863E-01 PbF4 $5 -1.000 1-2.000 5 4.000 6 1.00016 PbF4 0.194 1.972 3.437 4.361 4.987 5.433 5.762 6.011 B674 PbF4 6.204 6.356 6.477 6.574 6.652 PbF4 0.1702304E+02-0.3226964E+04 0.6477997E-05 0.3567540E+05-0.2590120E+01 PbH 4 1.500 1-2.000 5 1.00016 PbH 35.317 27.378 20.736 16.432 13.420 11.195 9.486 8.133 B677 PbH 7.034 6.125 5.360 4.707 4.144 PbH -0.9336483E+01 0.1201414E+05-0.2443883E-03-0.8475775E+03 0.1794457E+01 PbO 4 1.000 2-2.000 5 1.00016 PbO 47.201 36.581 27.654 21.838 17.747 14.713 12.373 10.514 B672 PbO 9.000 7.744 6.685 5.780 4.997 PbO -0.4987389E+01 0.1573565E+05 0.2415391E-04-0.2252784E+04-0.2308596E+00 PbS 4 1.000 4-2.000 5 1.00016 PbS 19.516 14.518 10.312 7.572 5.646 4.219 3.119 2.247 B677 PbS 1.538 0.951 0.458 0.037 -0.326 PbS -0.5315643E+01 0.7482954E+04 0.8439807E-04-0.1140909E+05-0.6591252E-01 PbSe 4 1.00035-2.000 5 1.00016 PbSe 9.865 6.815 4.246 2.572 1.396 0.526 -0.143 -0.673 BA77 PbSe -1.102 -1.456 -1.753 -2.005 -2.222 PbSe -0.5473470E+01 0.4626093E+04 0.1170007E-03-0.1514063E+05-0.1701871E-01 PbTe 4 1.00036-2.000 5 1.00016 PbTe 2.718 1.127 -0.213 -1.084 -1.693 -2.142 -2.485 -2.755 BA77 PbTe -2.973 -3.151 -3.299 -3.424 -3.531 PbTe -0.6322062E+01 0.2520136E+04 0.7423880E-04-0.1773875E+05 0.3091251E+00 Pb2 4 2.000 1-4.000 5 2.00016 Pb2 47.619 36.670 27.512 21.582 17.435 14.377 12.031 10.175 B672 Pb2 8.671 7.428 6.384 5.494 4.728 Pb2 -0.1586001E+02 0.1674757E+05-0.3369479E-03-0.1653831E+05 0.3068943E+01 Rb 4 0.500 1-1.000 5 1.00033 Rb 35.905 28.251 21.825 17.644 14.708 12.533 10.858 9.528 B672 Rb 8.446 7.549 6.793 6.148 5.590 Rb -0.3523557E+01 0.1144072E+05-0.6476441E-04-0.4718521E+04 0.4560852E+00 Rb2 4 1.000 1-2.000 5 2.00033 Rb2 64.254 52.617 42.858 36.517 32.070 28.779 26.247 24.238 BA77 Rb2 22.606 21.254 20.116 19.145 18.305 Rb2 0.2573201E+01 0.1746781E+05-0.1544315E-03-0.5912690E+04 0.1295655E+01 S 3 -1.000 1 1.000 4 S 47.299 36.798 27.934 22.135 18.042 14.996 12.640 10.762 B672 S 9.231 7.958 6.883 5.963 5.167 S 0.1093754E+01 0.1535371E+05 0.2760953E-03-0.8943088E+04-0.2131022E+01 SBr2 4 -2.000 1 1.000 4 2.000 7 SBr2 16.255 13.387 10.932 9.299 8.130 7.249 6.559 6.003 BA77 SBr2 5.546 5.163 4.838 4.559 4.316 SBr2 0.1114469E+02 0.3794542E+04 0.4226378E-03 0.8129718E+04-0.3166023E+01 SCl 4 -1.500 1 1.000 4 1.000 5 SCl 45.077 35.570 27.540 22.284 18.571 15.806 13.667 11.961 B674 SCl 10.569 9.412 8.434 7.598 6.875 SCl 0.4892693E+01 0.1379315E+05 0.3430242E-03-0.1935160E+04-0.2488890E+01 SClF5 5 -4.000 1 1.000 4 1.000 5 5.000 6 SClF5 99.048 83.515 70.397 61.786 55.678 51.107 47.549 44.695 B689 SClF5 42.352 40.390 38.722 37.285 36.033 SClF5 0.4500938E+02 0.2131631E+05 0.4180369E-03 0.1112525E+06-0.7610958E+01 SCl2 4 -2.000 1 1.000 4 2.000 5 SCl2 34.789 28.160 22.548 18.861 16.248 14.296 12.781 11.569 B674 SCl2 10.578 9.752 9.053 8.453 7.934 SCl2 0.1083134E+02 0.9356987E+04 0.3871520E-03 0.1172932E+05-0.3101019E+01 SF 4 -1.500 1 1.000 4 1.000 6 SF 51.587 40.762 31.630 25.659 21.444 18.308 15.881 13.948 B674 SF 12.371 11.060 9.952 9.005 8.185 SF 0.4871719E+01 0.1570119E+05 0.3225065E-03 0.5931740E+04-0.2469094E+01 SF2 4 -2.000 1 1.000 4 2.000 6 SF2 49.192 39.651 31.602 26.334 22.612 19.839 17.691 15.977 B674 SF2 14.577 13.410 12.424 11.579 10.847 SF2 0.9918458E+01 0.1365562E+05 0.2883138E-03 0.2137671E+05-0.2769952E+01 SF3 4 -2.500 1 1.000 4 3.000 6 SF3 65.404 53.533 43.522 36.970 32.337 28.883 26.205 24.065 B674 SF3 22.314 20.855 19.618 18.557 17.636 SF3 0.1766474E+02 0.1682201E+05 0.2816854E-03 0.4582310E+05-0.3750963E+01 SF4 4 -3.000 1 1.000 4 4.000 6 SF4 72.353 59.985 49.538 42.685 37.829 34.199 31.378 29.119 B674 SF4 27.266 25.718 24.404 23.274 22.291 SF4 0.2690574E+02 0.1723538E+05 0.3606089E-03 0.6324405E+05-0.5326240E+01 SF5 4 -3.500 1 1.000 4 5.000 6 SF5 100.192 83.314 69.073 59.740 53.132 48.197 44.363 41.294 B674 SF5 38.779 36.677 34.894 33.360 32.026 SF5 0.3607345E+02 0.2358778E+05 0.3728781E-03 0.9083022E+05-0.6517942E+01 SF6 4 -4.000 1 1.000 4 6.000 6 SF6 99.742 84.238 71.158 62.581 56.501 51.953 48.414 45.577 B674 SF6 43.247 41.297 39.639 38.210 36.965 SF6 0.4462222E+02 0.2126307E+05 0.3263081E-03 0.1225516E+06-0.7142163E+01 SO 4 -2.000 1 1.000 2 1.000 4 SO 42.229 32.787 24.803 19.570 15.868 13.108 10.969 9.261 B672 SO 7.866 6.705 5.723 4.882 4.154 SO 0.4322692E+01 0.1357524E+05 0.3910996E-03 0.3408993E+04-0.3144213E+01 SOCl2 5 -3.000 1 1.000 2 1.000 4 2.000 5 SOCl2 44.689 36.389 29.342 24.697 21.393 18.914 16.983 15.433*BA77 SOCl2 14.160 13.095 12.190 11.411 10.733 SOCl2 0.1832758E+02 0.1148282E+05 0.4679904E-03 0.2440556E+05-0.5078434E+01 SOF2 5 -3.000 1 1.000 2 1.000 4 2.000 6 SOF2 50.154 40.794 32.873 27.666 23.971 21.205 19.053 17.329 B689 SOF2 15.915 14.732 13.729 12.865 12.115 SOF2 0.1823332E+02 0.1295940E+05 0.4337256E-03 0.4346789E+05-0.4915762E+01 SO2 4 -3.000 1 2.000 2 1.000 4 SO2 33.379 26.044 19.813 15.705 12.784 10.594 8.888 7.521 B672 SO2 6.399 5.461 4.665 3.982 3.388 SO2 0.1027497E+02 0.1018102E+05 0.5087335E-03 0.1531703E+05-0.4593873E+01 SO2ClF 6 -4.000 1 2.000 2 1.000 4 1.000 5 1.000 6 SO2ClF 61.088 50.019 40.632 34.450 30.053 26.754 24.183 22.117 JA74 SO2ClF 20.419 18.997 17.787 16.745 15.838 SO2ClF 0.2638605E+02 0.1514739E+05 0.5358701E-03 0.5725019E+05-0.6832376E+01 SO2Cl2 5 -4.000 1 2.000 2 1.000 4 2.000 5 SO2Cl2 64.972 53.167 43.151 36.553 31.862 28.344 25.604 23.404 B689 SO2Cl2 21.597 20.086 18.801 17.695 16.733 SO2Cl2 0.2678708E+02 0.1632686E+05 0.6002755E-03 0.4081572E+05-0.6956620E+01 SO2F2 5 -4.000 1 2.000 2 1.000 4 2.000 6 SO2F2 57.718 47.395 38.646 32.883 28.783 25.707 23.308 21.381 B689 SO2F2 19.796 18.469 17.339 16.366 15.518 SO2F2 0.2653816E+02 0.1399622E+05 0.5441131E-03 0.6677977E+05-0.6739794E+01 SO3 4 -4.000 1 3.000 2 1.000 4 SO3 61.039 48.655 38.161 31.256 26.353 22.683 19.827 17.539 B672 SO3 15.663 14.095 12.765 11.622 10.630 SO3 0.1969086E+02 0.1719791E+05 0.7058361E-03 0.4244144E+05-0.6879096E+01 SSF2 4 -3.000 1 2.000 4 2.000 6 SSF2 36.569 29.968 24.354 20.646 18.002 16.015 14.464 13.217 B674 SSF2 12.192 11.333 10.603 9.975 9.428 SSF2 0.1923726E+02 0.8887746E+04 0.5581382E-03 0.3406234E+05-0.5264819E+01 S2 3 -2.000 1 2.000 4 S2 25.669 19.666 14.571 11.219 8.841 7.063 5.682 4.579 B672 S2 3.676 2.924 2.289 1.744 1.273 S2 0.4741110E+01 0.8512289E+04 0.4509498E-03-0.1517626E+04-0.3127909E+01 S2Br2 4 -3.000 1 2.000 4 2.000 7 S2Br2 28.864 23.717 19.304 16.367 14.261 12.671 11.424 10.419*B689 S2Br2 9.590 8.894 8.301 7.790 7.345 S2Br2 0.1847863E+02 0.6921499E+04 0.5802848E-03 0.2780496E+04-0.5267355E+01 S2Cl 4 -2.500 1 2.000 4 1.000 5 S2Cl 36.116 28.612 22.244 18.053 15.078 12.853 11.124 9.741 B674 S2Cl 8.609 7.666 6.867 6.183 5.591 S2Cl 0.1083513E+02 0.1055113E+05 0.5740979E-03 0.6546019E+04-0.4183813E+01 S2Cl2 4 -3.000 1 2.000 4 2.000 5 S2Cl2 40.090 32.685 26.380 22.212 19.240 17.008 15.266 13.866*B674 S2Cl2 12.716 11.754 10.936 10.232 9.620 S2Cl2 0.1929905E+02 0.1016111E+05 0.5991313E-03 0.1536867E+05-0.5512848E+01 S2F10 4 -7.000 1 2.000 410.000 6 S2F10 168.081 143.048 121.887 107.977 98.092 90.680 84.899 80.254 B674 S2F10 76.431 73.225 70.493 68.134 66.075 S2F10 0.8714808E+02 0.3385851E+05 0.6409000E-03 0.2136011E+06-0.1423479E+02 S2O 4 -3.000 1 1.000 2 2.000 4 S2O 39.420 30.846 23.570 18.779 15.377 12.831 10.851 9.267 B689 S2O 7.969 6.887 5.970 5.185 4.504 S2O 0.1149202E+02 0.1196644E+05 0.6706370E-03 0.1523426E+05-0.5083572E+01 S3 3 -3.000 1 3.000 4 S3 33.462 26.195 20.012 15.931 13.027 10.851 9.157 7.801 B672 S3 6.691 5.764 4.981 4.309 3.728 S3 0.1246429E+02 0.1005798E+05 0.7785714E-03 0.7534888E+04-0.5275497E+01 S4 3 -4.000 1 4.000 4 S4 38.577 30.841 24.230 19.845 16.710 14.350 12.506 11.024 B672 S4 9.806 8.786 7.921 7.178 6.534 S4 0.2204870E+02 0.1038529E+05 0.1021835E-02 0.1745547E+05-0.7599785E+01 S5 3 -5.000 1 5.000 4 S5 41.829 33.745 26.798 22.162 18.831 16.311 14.334 12.738 B672 S5 11.422 10.318 9.377 8.568 7.864 S5 0.3058193E+02 0.1059164E+05 0.1271047E-02 0.1507502E+05-0.1003302E+02 S6 3 -6.000 1 6.000 4 S6 44.329 36.337 29.423 24.778 21.419 18.865 16.851 15.219 B672 S6 13.868 12.730 11.759 10.920 10.189 S6 0.4053148E+02 0.1014751E+05 0.1520640E-02 0.1251257E+05-0.1246005E+02 S7 3 -7.000 1 7.000 4 S7 50.691 41.708 33.921 28.679 24.882 21.989 19.704 17.850 B672 S7 16.313 15.017 13.909 12.951 12.116 S7 0.4890034E+02 0.1128170E+05 0.1768166E-02 0.1552123E+05-0.1485193E+02 S8 3 -8.000 1 8.000 4 S8 55.554 46.088 37.855 32.293 28.250 25.163 22.719 20.730 B672 S8 19.078 17.683 16.489 15.456 14.553 S8 0.5869093E+02 0.1163907E+05 0.2047499E-02 0.1960244E+05-0.1737995E+02 Sb 4 1.500 1-3.000 5 1.00020 Sb 41.674 31.154 22.351 16.649 12.661 9.721 7.464 5.681 B672 Sb 4.236 3.042 2.041 1.188 0.454 Sb -0.1856952E+02 0.1607525E+05-0.2217802E-03-0.1810829E+05 0.2665939E+01 SbBr3 4 3.000 7 1.00020-3.000 5 SbBr3 -8.507 -6.801 -5.372 -4.442 -3.789 -3.304 -2.930 -2.632*B674 SbBr3 -2.389 -2.187 -2.016 -1.870 -1.743 SbBr3 -0.3479433E+00-0.2462088E+04 0.2138527E-04-0.9062496E+04 0.7856968E-01 SbCl5 4 -1.000 1 2.000 5 1.00020 SbCl5 27.644 23.960 20.822 18.744 17.260 16.141 15.266 14.560*BA77 SbCl5 13.977 13.487 13.069 12.707 12.391 SbCl5 0.1761554E+02 0.4992610E+04 0.1702897E-03 0.1429911E+05-0.2800023E+01 SbF3 4 3.000 6 1.00020-3.000 5 SbF3 7.578 6.029 4.741 3.908 3.324 2.892 2.557 2.291*B674 SbF3 2.073 1.891 1.736 1.603 1.487 SbF3 -0.3377877E+00 0.2183107E+04-0.1182800E-03 0.2067927E+05 0.1601443E+00 SbH3 4 3.000 1 1.00020-3.000 5 SbH3 28.607 22.240 16.967 13.584 11.237 9.518 8.205 7.172*BA77 SbH3 6.337 5.649 5.072 4.581 4.157 SbH3 -0.1407240E+02 0.9828030E+04-0.5561645E-03 0.1974240E+05 0.3903821E+01 SbS 5 0.500 1 1.000 4 1.00020-3.000 5 SbS 32.168 23.608 16.429 11.768 8.501 6.088 4.234 2.766 B689 SbS 1.575 0.592 -0.234 -0.937 -1.543 SbS -0.1390453E+02 0.1295460E+05-0.6638400E-05-0.1558443E+05 0.1131516E+01 (SbS)2 5 1.000 1 2.000 4 2.00020-6.000 5 (SbS)2 37.391 27.353 18.939 13.480 9.660 6.840 4.677 2.967 B689 (SbS)2 1.583 0.441 -0.517 -1.329 -2.028 (SbS)2 -0.1748353E+02 0.1526589E+05 0.6140410E-04-0.2320319E+05 0.1582263E+01 (SbS)3 5 1.500 1 3.000 4 3.00020-9.000 5 (SbS)3 41.982 31.064 21.902 15.951 11.781 8.701 6.335 4.464 B689 (SbS)3 2.948 1.696 0.646 -0.247 -1.014 (SbS)3 -0.1651253E+02 0.1657192E+05 0.1011087E-03-0.2942306E+05 0.1298414E+01 (SbS)4 5 2.000 1 4.000 4 4.00020-12.00 5 (SbS)4 45.275 32.827 22.346 15.520 10.725 7.176 4.445 2.282 B689 (SbS)4 0.527 -0.924 -2.143 -3.180 -4.073 (SbS)4 -0.1960438E+02 0.1897855E+05 0.1786707E-03-0.6347748E+05 0.7621345E+00 Sb2 4 3.000 1-6.000 5 2.00020 Sb2 38.209 27.356 18.320 12.504 8.464 5.503 3.246 1.473 B672 Sb2 0.045 -1.127 -2.105 -2.932 -3.641 Sb2 -0.3289558E+02 0.1708904E+05-0.4267204E-03-0.3343206E+05 0.5775487E+01 Sb2S3 4 3.000 4 2.00020-6.000 5 Sb2S3 32.421 23.413 15.813 10.849 7.353 4.760 2.760 1.172 B689 Sb2S3 -0.119 -1.188 -2.087 -2.852 -3.512 Sb2S3 -0.1011104E+02 0.1346666E+05 0.3278965E-03-0.3400340E+05-0.9499552E+00 Sb2S4 5 -1.000 1 4.000 4 2.00020-6.000 5 Sb2S4 34.241 25.398 17.894 12.962 9.469 6.863 4.843 3.232 B689 Sb2S4 1.918 0.825 -0.097 -0.884 -1.565 Sb2S4 0.6019562E-01 0.1285886E+05 0.6176825E-03-0.3077638E+05-0.3550695E+01 Sb3S2 5 2.500 1 2.000 4 3.00020-9.000 5 Sb3S2 36.788 25.917 16.825 10.944 6.841 3.821 1.512 -0.309 B689 Sb3S2 -1.779 -2.988 -4.000 -4.857 -5.593 Sb3S2 -0.2815715E+02 0.1688095E+05-0.1284046E-03-0.4193146E+05 0.3570981E+01 Sb4 4 6.000 1-12.00 5 4.00020 Sb4 38.138 25.791 15.563 9.022 4.507 1.221 -1.267 -3.209 B672 Sb4 -4.763 -6.031 -7.083 -7.968 -8.723 Sb4 -0.5472708E+02 0.2016285E+05-0.8653391E-03-0.6788513E+05 0.1061260E+02 Sb4O6 4 4.00020 6.000 2-12.00 5 Sb4O6 56.764 43.253 31.832 24.339 19.031 15.065 11.984 9.517*B672 Sb4O6 7.495 5.805 4.370 3.135 2.060 Sb4O6 0.2363690E+01 0.1929079E+05 0.1138990E-03 0.2387622E+05-0.4285400E+01 Sb4S3 5 3.000 1 3.000 4 4.00020-12.00 5 Sb4S3 45.436 32.528 21.704 14.685 9.775 6.154 3.379 1.187 B689 Sb4S3 -0.586 -2.048 -3.272 -4.312 -5.205 Sb4S3 -0.2866893E+02 0.1997062E+05-0.6739389E-04-0.6172856E+05 0.3167458E+01 Se 3 -1.000 1 1.00035 Se 31.485 24.211 18.064 14.038 11.192 9.072 7.430 6.120 B672 Se 5.051 4.161 3.409 2.766 2.208 Se 0.1117403E+01 0.1053675E+05 0.2552666E-03-0.1926384E+04-0.2031679E+01 SeBr2 4 -2.000 1 1.00035 2.000 7 SeBr2 5.930 5.116 4.391 3.892 3.524 3.240 3.014 2.829 B674 SeBr2 2.676 2.548 2.439 2.345 2.265 SeBr2 0.9789580E+01 0.8435042E+03 0.4601685E-03 0.2543124E+04-0.2770101E+01 CSe 5 1.000 1-2.000 2 1.000 3 1.00035 CSe 41.433 32.725 25.429 20.701 17.394 14.956 13.087 11.611 B677 CSe 10.417 9.433 8.608 7.907 7.305 CSe -0.8358447E+01 0.1340317E+05-0.5724740E-04-0.3116495E+05 0.2103366E+01 CSe2 4 -2.000 2 1.000 3 2.00035 CSe2 19.735 15.869 12.604 10.470 8.968 7.854 6.996 6.317 B677 CSe2 5.766 5.311 4.930 4.606 4.329 CSe2 0.2137695E+01 0.5783591E+04 0.2786105E-03-0.1916406E+05-0.6742914E+00 SeCl2 4 -2.000 1 1.00035 2.000 5 SeCl2 23.211 18.898 15.228 12.804 11.079 9.785 8.777 7.969 B674 SeCl2 7.307 6.754 6.285 5.884 5.536 SeCl2 0.1114567E+02 0.5927288E+04 0.4487657E-03 0.8388962E+04-0.3250462E+01 SeF 4 -1.500 1 1.00035 1.000 6 SeF 33.499 26.366 20.342 16.398 13.612 11.537 9.930 8.650 B674 SeF 7.604 6.735 6.002 5.374 4.831 SeF 0.4319533E+01 0.1026433E+05 0.3174427E-03 0.6025829E+04-0.2186220E+01 SeF2 4 -2.000 1 1.00035 2.000 6 SeF2 37.722 30.496 24.387 20.380 17.543 15.425 13.782 12.468 B674 SeF2 11.394 10.499 9.742 9.093 8.530 SeF2 0.1114876E+02 0.1016358E+05 0.3887841E-03 0.2290030E+05-0.3188224E+01 SeF4 4 -3.000 1 1.00035 4.000 6 SeF4 55.956 47.062 39.546 34.607 31.100 28.473 26.426 24.784 B674 SeF4 23.434 22.304 21.344 20.516 19.795 SeF4 0.2786297E+02 0.1200446E+05 0.4031897E-03 0.7703822E+05-0.5317176E+01 SeF5 4 -3.500 1 1.00035 5.000 6 SeF5 85.578 71.587 59.760 51.994 46.485 42.362 39.154 36.583 B674 SeF5 34.472 32.706 31.205 29.914 28.790 SeF5 0.3656333E+02 0.1933152E+05 0.4500452E-03 0.8083661E+05-0.6816531E+01 SeF6 4 -4.000 1 1.00035 6.000 6 SeF6 108.675 91.268 76.564 66.913 60.069 54.950 50.967 47.775 B674 SeF6 45.155 42.963 41.101 39.498 38.102 SeF6 0.4688324E+02 0.2404732E+05 0.4994727E-03 0.1074028E+06-0.8171776E+01 SeO 4 -2.000 1 1.000 2 1.00035 SeO 42.004 32.617 24.679 19.475 15.793 13.047 10.920 9.222 B672 SeO 7.835 6.681 5.706 4.871 4.148 SeO 0.5086580E+01 0.1345182E+05 0.4652609E-03 0.5590435E+04-0.3395446E+01 SeO2 4 -3.000 1 2.000 2 1.00035 SeO2 57.366 45.193 34.892 28.130 23.340 19.764 16.989 14.770 B672 SeO2 12.956 11.443 10.163 9.065 8.114 SeO2 0.1140597E+02 0.1729898E+05 0.5800805E-03 0.1615604E+05-0.5017602E+01 Se2 3 -2.000 1 2.00035 Se2 10.647 7.769 5.282 3.617 2.417 1.509 0.796 0.221 B672 Se2 -0.252 -0.648 -0.984 -1.272 -1.521 Se2 0.8507726E+01 0.3740030E+04 0.6604606E-03-0.2421933E+04-0.4273484E+01 Se2Br2 4 -3.000 1 2.00035 2.000 7 Se2Br2 11.016 9.439 8.021 7.033 6.297 5.723 5.261 4.880*B674 Se2Br2 4.560 4.287 4.052 3.848 3.670 Se2Br2 0.1903343E+02 0.1627132E+04 0.7025986E-03-0.1274868E+04-0.5524460E+01 Se2Cl2 4 -3.000 1 2.00035 2.000 5 Se2Cl2 21.703 17.986 14.774 12.618 11.060 9.878 8.946 8.191*B674 Se2Cl2 7.567 7.042 6.594 6.208 5.872 Se2Cl2 0.1972625E+02 0.4721652E+04 0.7250074E-03 0.7519184E+04-0.5722727E+01 Se3 3 -3.000 1 3.00035 Se3 12.846 9.691 6.951 5.106 3.771 2.757 1.959 1.314 B672 Se3 0.782 0.335 -0.044 -0.370 -0.652 Se3 0.1212734E+02 0.4066542E+04 0.7909754E-03-0.1007061E+05-0.5271176E+01 Se4 3 -4.000 1 4.00035 Se4 10.219 7.823 5.680 4.196 3.098 2.248 1.569 1.014 B672 Se4 0.551 0.160 -0.174 -0.461 -0.710 Se4 0.2052681E+02 0.2623376E+04 0.1183185E-02-0.1111194E+05-0.7813671E+01 Se5 3 -5.000 1 5.00035 Se5 1.460 1.669 1.675 1.563 1.411 1.250 1.094 0.947 B672 Se5 0.812 0.690 0.580 0.482 0.395 Se5 0.3107033E+02-0.1520049E+04 0.1428142E-02-0.1311225E+05-0.1001858E+02 Se6 3 -6.000 1 6.00035 Se6 -2.093 -0.773 0.123 0.559 0.772 0.869 0.902 0.899 B672 Se6 0.876 0.844 0.807 0.769 0.734 Se6 0.4035889E+02-0.3486801E+04 0.1745683E-02-0.1561663E+05-0.1256931E+02 Se7 3 -7.000 1 7.00035 Se7 -3.836 -1.813 -0.368 0.398 0.824 1.066 1.202 1.274 B672 Se7 1.308 1.319 1.316 1.306 1.293 Se7 0.4898808E+02-0.4843175E+04 0.2027085E-02-0.1553461E+05-0.1495676E+02 Se8 3 -8.000 1 8.00035 Se8 -4.792 -2.144 -0.218 0.828 1.432 1.792 2.010 2.141 B672 Se8 2.217 2.260 2.282 2.291 2.292 Se8 0.5791662E+02-0.6033915E+04 0.2308593E-02-0.2375959E+05-0.1733400E+02 Si 4 2.000 1-4.000 6 1.00021 Si 153.696 119.454 90.693 71.988 58.860 49.145 41.668 35.740 B672 Si 30.926 26.941 23.589 20.731 18.266 Si -0.2579994E+02 0.5163917E+05-0.4913848E-04-0.7193697E+05 0.2877927E+01 SiBr 5 1.500 1-4.000 6 1.000 7 1.00021 SiBr 125.134 97.195 73.726 58.461 47.748 39.821 33.722 28.888 B674 SiBr 24.963 21.716 18.985 16.658 14.653 SiBr -0.2094957E+02 0.4215650E+05 0.7488324E-04-0.6449294E+05 0.2179520E+01 SiBr2 5 1.000 1-4.000 6 2.000 7 1.00021 SiBr2 85.094 65.995 49.948 39.511 32.189 26.772 22.606 19.306 B674 SiBr2 16.629 14.415 12.555 10.972 9.608 SiBr2 -0.1512460E+02 0.2890404E+05 0.1400251E-03-0.5503794E+05 0.1556470E+01 SiBr3 5 0.500 1-4.000 6 3.000 7 1.00021 SiBr3 69.827 54.699 41.970 33.677 27.851 23.535 20.212 17.576 B674 SiBr3 15.436 13.664 12.174 10.905 9.811 SiBr3 -0.6851585E+01 0.2279051E+05 0.2075613E-03-0.4731514E+05 0.2866056E+00 SiBr4 4 -4.000 6 4.000 7 1.00021 SiBr4 44.271 35.380 27.869 22.957 19.495 16.924 14.939 13.361 B674 SiBr4 12.078 11.014 10.118 9.354 8.695 SiBr4 0.2318342E+01 0.1334319E+05 0.2704501E-03-0.4373324E+05-0.9655884E+00 SiC 6 4.000 1-2.000 2 1.000 3-4.000 6 1.00021 SiC 187.770 147.242 113.225 91.119 75.614 64.148 55.332 48.346 B677 SiC 42.678 37.989 34.048 30.691 27.798 SiC -0.2674613E+02 0.6117597E+05 0.3008529E-05-0.7648414E+05 0.4118262E+01 SiCH3Cl3 7 4.000 1-2.000 2 1.000 3 3.000 5-4.000 6 1.00021 SiCH3Cl3 39.602 33.313 28.109 24.782 22.483 20.805 19.530 18.530*JA71 SiCH3Cl3 17.725 17.064 16.511 16.043 15.641 SiCH3Cl3-0.7683854E+01 0.1012167E+05-0.7245206E-03-0.1193196E+05 0.5531795E+01 SiCH3F3 6 4.000 1-2.000 2 1.000 3-1.000 6 1.00021 SiCH3F3 11.292 10.681 10.270 10.076 9.985 9.947 9.938 9.943*JA71 SiCH3F3 9.957 9.973 9.992 10.010 10.028 SiCH3F3 -0.9847627E+01 0.1678591E+04-0.9385679E-03 0.7111334E+04 0.6348807E+01 SiC2 6 6.000 1-4.000 2 2.000 3-4.000 6 1.00021 SiC2 157.507 123.862 95.694 77.446 64.687 55.280 48.067 42.367 B677 SiC2 37.752 33.944 30.749 28.033 25.695 SiC2 -0.3733187E+02 0.5175372E+05-0.6441399E-03-0.9915570E+05 0.9118670E+01 Si(CH3)4 6 16.000 1-8.000 2 4.000 3-4.000 6 1.00021 Si(CH3)4 12.541 17.156 21.442 24.525 26.878 28.743 30.261 31.523*JA71 Si(CH3)4 32.587 33.496 34.280 34.962 35.560 Si(CH3)4-0.3751934E+02-0.3637068E+04-0.3646533E-02 0.1377285E+05 0.2553807E+02 SiCl 5 1.500 1 1.000 5-4.000 6 1.00021 SiCl 128.366 99.758 75.731 60.107 49.144 41.032 34.792 29.845 B674 SiCl 25.829 22.507 19.713 17.332 15.280 SiCl -0.2163157E+02 0.4315658E+05 0.3842720E-04-0.6113260E+05 0.2394886E+01 ClSiF3 4 1.000 5-1.000 6 1.00021 ClSiF3 19.637 15.550 12.104 9.853 8.266 7.087 6.176 5.451 JA71 ClSiF3 4.861 4.371 3.957 3.604 3.299 ClSiF3 0.1014190E+01 0.6010012E+04 0.1039548E-03-0.4073138E+04-0.6142978E+00 SiCl2 5 1.000 1 2.000 5-4.000 6 1.00021 SiCl2 84.329 65.389 49.479 39.133 31.874 26.505 22.376 19.104 B674 SiCl2 16.449 14.254 12.410 10.839 9.487 SiCl2 -0.1483315E+02 0.2861062E+05 0.1294525E-03-0.4717816E+05 0.1492794E+01 SiCl3 5 0.500 1 3.000 5-4.000 6 1.00021 SiCl3 66.074 51.686 39.583 31.701 26.163 22.061 18.903 16.397 B674 SiCl3 14.362 12.678 11.261 10.054 9.014 SiCl3 -0.6466746E+01 0.2160449E+05 0.2003741E-03-0.3551865E+05 0.1692463E+00 SiCl4 4 4.000 5-4.000 6 1.00021 SiCl4 40.209 32.154 25.356 20.914 17.782 15.457 13.661 12.234 B674 SiCl4 11.072 10.108 9.297 8.604 8.007 SiCl4 0.3038115E+01 0.1195450E+05 0.2575735E-03-0.2276477E+05-0.1109508E+01 SiF 4 1.500 1-3.000 6 1.00021 SiF 121.755 94.468 71.557 56.662 46.212 38.482 32.536 27.824 B674 SiF 23.999 20.834 18.173 15.905 13.951 SiF -0.2233280E+02 0.4120849E+05-0.2180678E-04-0.5835330E+05 0.2641704E+01 FSiCl3 4 3.000 5-3.000 6 1.00021 FSiCl3 39.723 31.574 24.698 20.204 17.036 14.682 12.864 11.419 JA71 FSiCl3 10.242 9.265 8.442 7.739 7.133 FSiCl3 0.2344901E+01 0.1206012E+05 0.2439075E-03-0.1923137E+05-0.1183364E+01 SiF2 4 1.000 1-2.000 6 1.00021 SiF2 74.221 57.304 43.106 33.882 27.414 22.632 18.957 16.046 B674 SiF2 13.685 11.733 10.093 8.697 7.494 SiF2 -0.1579413E+02 0.2558027E+05 0.2707041E-04-0.3536825E+05 0.1862361E+01 SiF3 4 0.500 1-1.000 6 1.00021 SiF3 39.261 30.236 22.661 17.737 14.284 11.731 9.768 8.212 B674 SiF3 6.951 5.907 5.030 4.283 3.640 SiF3 -0.8499503E+01 0.1363202E+05 0.1535689E-04-0.1856970E+05 0.9063746E+00 SiH 4 2.500 1-4.000 6 1.00021 SiH 142.562 110.935 84.387 67.134 55.032 46.081 39.197 33.742 B677 SiH 29.314 25.650 22.569 19.943 17.679 SiH -0.2601955E+02 0.4782429E+05-0.1508613E-03-0.6657043E+05 0.3625855E+01 SiHBr3 5 1.000 1-4.000 6 3.000 7 1.00021 SiHBr3 55.699 44.145 34.431 28.106 23.663 20.372 17.839 15.828 JA82 SiHBr3 14.195 12.844 11.706 10.737 9.901 SiHBr3 -0.2770049E+01 0.1732722E+05 0.1199098E-03-0.2337565E+05 0.2345840E+00 SiHCl3 5 1.000 1 3.000 5-4.000 6 1.00021 SiHCl3 51.173 40.522 31.575 25.753 21.665 18.637 16.306 14.457 JA82 SiHCl3 12.955 11.711 10.665 9.773 9.003 SiHCl3 -0.2522045E+01 0.1589209E+05 0.9971176E-04-0.9033260E+04 0.1877499E+00 SiHF3 4 1.000 1-1.000 6 1.00021 SiHF3 22.709 17.762 13.633 10.963 9.098 7.723 6.668 5.833 JA78 SiHF3 5.156 4.595 4.124 3.722 3.376 SiHF3 -0.6115020E+01 0.7495338E+04-0.2155758E-03 0.5735301E+04 0.1488965E+01 SiH2 4 3.000 1-4.000 6 1.00021 SiH2 122.488 95.492 72.845 58.132 47.814 40.182 34.311 29.656 B677 SiH2 25.877 22.748 20.116 17.871 15.935 SiH2 -0.2095795E+02 0.4063827E+05-0.2284730E-03-0.2926253E+05 0.3047946E+01 SiH2Br2 5 2.000 1-4.000 6 2.000 7 1.00021 SiH2Br2 67.475 53.256 41.337 33.601 28.179 24.172 21.092 18.651 JA82 SiH2Br2 16.670 15.030 13.651 12.476 11.462 SiH2Br2 -0.9905649E+01 0.2149081E+05-0.2135809E-03-0.1619639E+05 0.2241342E+01 SiH2Cl2 5 2.000 1 2.000 5-4.000 6 1.00021 SiH2Cl2 64.259 50.687 39.317 31.941 26.775 22.957 20.022 17.697 JA82 SiH2Cl2 15.810 14.248 12.934 11.814 10.848 SiH2Cl2 -0.1009106E+02 0.2049209E+05-0.2563562E-03-0.8099086E+04 0.2338700E+01 SiH2F2 4 2.000 1-2.000 6 1.00021 SiH2F2 45.202 35.452 27.309 22.043 18.364 15.652 13.570 11.924 JA78 SiH2F2 10.588 9.484 8.556 7.765 7.083 SiH2F2 -0.1155907E+02 0.1480875E+05-0.3866035E-03 0.5034531E+04 0.2889994E+01 SiH3 4 3.500 1-4.000 6 1.00021 SiH3 119.126 93.409 71.865 57.888 48.099 40.867 35.309 30.907 B677 SiH3 27.334 24.379 21.893 19.774 17.947 SiH3 -0.2276281E+02 0.3894270E+05-0.4946513E-03-0.2713975E+05 0.4739356E+01 SiH3Br 5 3.000 1-4.000 6 1.000 7 1.00021 SiH3Br 79.678 62.806 48.688 39.540 33.139 28.413 24.784 21.910 JA82 SiH3Br 19.579 17.651 16.030 14.648 13.456 SiH3Br -0.1530629E+02 0.2557639E+05-0.4482973E-03-0.7812593E+04 0.3807876E+01 SiH3Cl 5 3.000 1 1.000 5-4.000 6 1.00021 SiH3Cl 78.329 61.730 47.843 38.848 32.554 27.909 24.341 21.516 JA82 SiH3Cl 19.225 17.330 15.737 14.378 13.207 SiH3Cl -0.1532207E+02 0.2515006E+05-0.4598558E-03-0.3841335E+04 0.3830326E+01 SiH3F 4 3.000 1-3.000 6 1.00021 SiH3F 68.876 54.173 41.888 33.940 28.385 24.288 21.144 18.656 JA78 SiH3F 16.639 14.971 13.569 12.374 11.343 SiH3F -0.1612826E+02 0.2233179E+05-0.5341945E-03 0.2968655E+04 0.4133914E+01 SiH4 4 4.000 1-4.000 6 1.00021 SiH4 92.488 72.947 56.611 46.037 38.645 33.192 29.007 25.695 B677 SiH4 23.009 20.788 18.921 17.330 15.957 SiH4 -0.2064914E+02 0.2976275E+05-0.7100662E-03-0.9447694E+04 0.5508567E+01 SiO 5 1.000 1 1.000 2-4.000 6 1.00021 SiO 100.431 77.043 57.391 44.606 35.631 28.990 23.880 19.828 B672 SiO 16.540 13.819 11.531 9.582 7.902 SiO -0.2106572E+02 0.3527134E+05 0.1310553E-03-0.5664852E+05 0.1533360E+01 SiOF2 4 1.000 2-2.000 6 1.00021 SiOF2 52.520 40.415 30.242 23.620 18.968 15.522 12.867 10.760 JA71 SiOF2 9.047 7.628 6.434 5.415 4.536 SiOF2 -0.8275557E+01 0.1805525E+05 0.8315776E-04-0.1145034E+05 0.1382268E+00 SiO2 4 2.000 2-4.000 6 1.00021 SiO2 105.929 81.851 61.590 48.385 39.098 32.212 26.903 22.687 B672 SiO2 19.258 16.416 14.022 11.979 10.216 SiO2 -0.1256067E+02 0.3589672E+05 0.2752520E-03-0.3962337E+05-0.6243226E+00 SiS 5 1.000 1 1.000 4-4.000 6 1.00021 SiS 97.932 75.094 55.901 43.416 34.653 28.169 23.182 19.229 B689 SiS 16.022 13.370 11.141 9.243 7.608 SiS -0.2086779E+02 0.3449604E+05 0.2012413E-03-0.6248380E+05 0.1512444E+01 SiS2 4 2.000 4-4.000 6 1.00021 SiS2 86.554 66.455 49.527 38.489 30.726 24.971 20.536 17.016 B689 SiS2 14.156 11.787 9.795 8.097 6.634 SiS2 -0.1186854E+02 0.3009198E+05 0.4494514E-03-0.5694451E+05-0.8081811E+00 SiSe 5 1.000 1 1.00035-4.000 6 1.00021 SiSe 106.268 81.772 61.185 47.792 38.391 31.435 26.085 21.844 BA77 SiSe 18.403 15.557 13.166 11.130 9.377 SiSe -0.2044839E+02 0.3694976E+05 0.2667129E-03-0.6342508E+05 0.1382262E+01 SiTe 5 1.000 1 1.00036-4.000 6 1.00021 SiTe 96.973 74.363 55.363 43.005 34.334 27.920 22.988 19.081 B677 SiTe 15.912 13.292 11.091 9.217 7.605 SiTe -0.2173342E+02 0.3425457E+05 0.1943628E-03-0.7081691E+05 0.1840721E+01 Si2 4 4.000 1-8.000 6 2.00021 Si2 258.396 200.884 152.596 121.206 99.184 82.893 70.362 60.429 B672 Si2 52.367 45.695 40.085 35.304 31.182 Si2 -0.4556885E+02 0.8683672E+05-0.1111579E-03-0.1181978E+06 0.5688542E+01 Si2C 6 6.000 1-2.000 2 1.000 3-8.000 6 2.00021 Si2C 237.513 185.108 141.159 112.630 92.646 77.884 66.547 57.573 B677 Si2C 50.299 44.288 39.240 34.942 31.242 Si2C -0.5107031E+02 0.7984279E+05-0.4040479E-03-0.1388613E+06 0.9081592E+01 Si3 4 6.000 1-12.00 6 3.00021 Si3 347.990 270.484 205.410 163.113 133.446 111.505 94.634 81.265 B672 Si3 70.418 61.445 53.903 47.478 41.941 Si3 -0.6445887E+02 0.1173233E+06-0.1013957E-03-0.1873984E+06 0.8520340E+01 Sn 4 1.000 1-2.000 5 1.00038 Sn 49.583 38.513 29.216 23.164 18.910 15.754 13.318 11.381 B672 Sn 9.802 8.490 7.382 6.433 5.611 Sn -0.6422149E+01 0.1641127E+05-0.2226283E-03 0.6852370E+04 0.3842810E+00 SnBr2 4 -2.000 5 2.000 7 1.00038 SnBr2 -6.043 -5.073 -4.265 -3.742 -3.377 -3.107 -2.899 -2.735*BA77 SnBr2 -2.601 -2.491 -2.398 -2.319 -2.250 SnBr2 -0.1211294E+01-0.1389626E+04-0.3009138E-06-0.8854659E+04-0.2876447E-01 SnBr4 5 -1.000 1-2.000 5 4.000 7 1.00038 SnBr4 -17.718 -12.256 -7.715 -4.795 -2.766 -1.280 -0.148 0.742*B674 SnBr4 1.458 2.046 2.537 2.951 3.307 SnBr4 0.1730562E+02-0.8491024E+04 0.1766639E-03 0.3453185E+04-0.2681860E+01 SnCl 4 0.500 1-1.000 5 1.00038 SnCl 20.971 16.036 11.900 9.216 7.334 5.942 4.871 4.021 B674 SnCl 3.331 2.759 2.277 1.865 1.509 SnCl -0.5955339E+01 0.7437507E+04-0.1366774E-03-0.2050539E+04 0.8263195E+00 SnCl4 4 -1.000 1 2.000 5 1.00038 SnCl4 -5.980 -2.866 -0.292 1.351 2.481 3.301 3.920 4.401*B674 SnCl4 4.783 5.093 5.349 5.563 5.744 SnCl4 0.1740822E+02-0.5078012E+04 0.1163422E-03 0.1474963E+05-0.2649917E+01 SnF 5 0.500 1-2.000 5 1.000 6 1.00038 SnF 29.890 23.151 17.503 13.835 11.262 9.358 7.892 6.728 B674 SnF 5.782 4.997 4.336 3.770 3.281 SnF -0.6160586E+01 0.1009541E+05-0.1732271E-03 0.1927960E+04 0.8973294E+00 SnF2 4 -2.000 5 2.000 6 1.00038 SnF2 13.178 10.508 8.272 6.820 5.800 5.044 4.461 3.997 B674 SnF2 3.619 3.304 3.039 2.811 2.614 SnF2 -0.1975752E+00 0.3891993E+04-0.6659542E-04 0.1218663E+05 0.8267482E-01 SnH4 4 3.000 1-2.000 5 1.00038 SnH4 35.820 29.657 24.546 21.259 18.970 17.284 15.990 14.963*BA77 SnH4 14.128 13.433 12.845 12.338 11.896 SnH4 -0.5809698E+01 0.9465540E+04-0.9409758E-03 0.2478198E+05 0.3994411E+01 SnO 4 1.000 2-2.000 5 1.00038 SnO 42.548 32.827 24.657 19.335 15.593 12.817 10.677 8.976 BA77 SnO 7.593 6.444 5.476 4.650 3.935 SnO -0.4758931E+01 0.1435647E+05 0.6647261E-04 0.3008541E+04-0.3631604E+00 SnS 4 1.000 4-2.000 5 1.00038 SnS 20.064 14.931 10.613 7.800 5.823 4.359 3.231 2.336 B689 SnS 1.609 1.007 0.501 0.069 -0.302 SnS -0.5502004E+01 0.7683356E+04 0.8557157E-04-0.1090047E+05-0.4323134E-01 SnSe 4 1.00035-2.000 5 1.00038 SnSe 14.012 10.106 6.817 4.674 3.169 2.054 1.197 0.517 B677 SnSe -0.034 -0.489 -0.871 -1.196 -1.475 SnSe -0.5378458E+01 0.5882037E+04 0.1333873E-03-0.1418046E+05-0.8818274E-01 SnTe 4 1.00036-2.000 5 1.00038 SnTe 7.671 5.061 2.866 1.438 0.436 -0.303 -0.870 -1.318 B677 SnTe -1.680 -1.979 -2.229 -2.440 -2.622 SnTe -0.6389921E+01 0.4026490E+04 0.7448591E-04-0.1734156E+05 0.2945277E+00 Sr 4 1.000 1-2.000 5 1.00030 Sr 74.521 58.592 45.224 36.534 30.435 25.920 22.444 19.685 B672 Sr 17.443 15.585 14.020 12.684 11.530 Sr -0.8897770E+01 0.2388017E+05-0.1752103E-03-0.1091410E+05 0.1414199E+01 SrBr 5 0.500 1-2.000 5 1.000 7 1.00030 SrBr 38.334 30.035 23.075 18.554 15.383 13.038 11.233 9.803 B674 SrBr 8.641 7.679 6.869 6.179 5.583 SrBr -0.5617553E+01 0.1246272E+05-0.7680765E-04-0.5005428E+04 0.9014632E+00 SrBr2 4 -2.000 5 2.000 7 1.00030 SrBr2 -7.152 -5.547 -4.210 -3.347 -2.746 -2.304 -1.965 -1.699 B674 SrBr2 -1.483 -1.306 -1.158 -1.032 -0.924 SrBr2 0.1918543E+01-0.2406203E+04 0.2548801E-05-0.4911848E+04-0.3821514E+00 SrCl 4 0.500 1-1.000 5 1.00030 SrCl 42.032 32.987 25.401 20.472 17.014 14.456 12.487 10.925 B674 SrCl 9.657 8.606 7.722 6.967 6.316 SrCl -0.5306964E+01 0.1353552E+05-0.6719982E-04-0.1675631E+04 0.7999691E+00 SrF 5 0.500 1-2.000 5 1.000 6 1.00030 SrF 43.794 34.388 26.502 21.378 17.784 15.124 13.077 11.453 B674 SrF 10.133 9.039 8.118 7.332 6.653 SrF -0.5457500E+01 0.1405000E+05-0.1061991E-03 0.2522700E+04 0.8611415E+00 SrF2 4 -2.000 5 2.000 6 1.00030 SrF2 12.021 9.591 7.552 6.226 5.294 4.602 4.067 3.642 B674 SrF2 3.295 3.006 2.762 2.552 2.371 SrF2 -0.3034108E-01 0.3555213E+04-0.6187280E-04 0.7717793E+04 0.2376463E-01 SrH 4 1.500 1-2.000 5 1.00030 SrH 85.093 67.225 52.238 42.499 35.664 30.605 26.710 23.619 B677 SrH 21.106 19.023 17.269 15.771 14.476 SrH -0.8313125E+01 0.2670495E+05-0.2238864E-03 0.5287792E+03 0.1575349E+01 SrO 4 1.000 2-2.000 5 1.00030 SrO 85.426 67.219 51.918 41.954 34.949 29.754 25.748 22.565 B672 SrO 19.973 17.823 16.010 14.459 13.119 SrO -0.5446504E+01 0.2704231E+05-0.6907135E-04-0.4565117E+04 0.9864181E-01 SrOH 5 0.500 1 1.000 2-2.000 5 1.00030 SrOH 54.318 42.877 33.261 26.995 22.588 19.317 16.794 14.787 JA78 SrOH 13.152 11.795 10.650 9.670 8.823 SrOH -0.1300328E+01 0.1686944E+05-0.1413145E-05 0.6786713E+04-0.4194967E+00 Sr(OH)2 4 2.000 2-2.000 5 1.00030 Sr(OH)2 31.699 25.472 20.203 16.741 14.286 12.449 11.020 9.875 JA78 Sr(OH)2 8.935 8.149 7.482 6.908 6.408 Sr(OH)2 0.8927810E+01 0.8730677E+04 0.1719715E-03 0.2127644E+05-0.2749003E+01 SrS 4 1.000 4-2.000 5 1.00030 SrS 68.179 53.478 41.123 33.078 27.424 23.234 20.004 17.438 B689 SrS 15.351 13.619 12.160 10.914 9.837 SrS -0.6246149E+01 0.2194788E+05-0.5456403E-04-0.1468026E+05 0.4013144E+00 Te 3 -1.000 1 1.00036 Te 15.241 11.277 7.916 5.709 4.146 2.980 2.075 1.354 B672 Te 0.764 0.273 -0.142 -0.498 -0.805 Te -0.9053023E+00 0.5790463E+04 0.1690209E-03-0.1277811E+05-0.1285798E+01 TeCl2 4 -2.000 1 1.00036 2.000 5 TeCl2 -3.025 -2.064 -1.300 -0.834 -0.527 -0.312 -0.156 -0.039 B674 TeCl2 0.052 0.125 0.183 0.232 0.273 TeCl2 0.9811434E+01-0.1803034E+04 0.3771621E-03 0.2394527E+04-0.2800013E+01 TeF 4 -1.500 1 1.00036 1.000 6 TeF 13.382 10.315 7.710 5.995 4.776 3.864 3.155 2.589 B674 TeF 2.125 1.738 1.411 1.131 0.888 TeF 0.3329641E+01 0.4308667E+04 0.2594568E-03 0.1213638E+04-0.1814566E+01 TeF2 4 -2.000 1 1.00036 2.000 6 TeF2 12.965 10.766 8.888 7.640 6.746 6.071 5.541 5.114 B674 TeF2 4.762 4.466 4.213 3.996 3.806 TeF2 0.9319272E+01 0.2834479E+04 0.2725587E-03 0.1650196E+05-0.2476564E+01 TeF4 4 -3.000 1 1.00036 4.000 6 TeF4 18.826 17.199 15.773 14.791 14.061 13.491 13.028 12.644 B674 TeF4 12.317 12.035 11.788 11.570 11.376 TeF4 0.2647323E+02 0.1373848E+04 0.3740202E-03 0.5354907E+05-0.5241245E+01 TeF5 4 -3.500 1 1.00036 5.000 6 TeF5 34.405 30.604 27.335 25.139 23.544 22.324 21.354 20.560 B674 TeF5 19.896 19.330 18.842 18.414 18.037 TeF5 0.3528822E+02 0.4316984E+04 0.4144619E-03 0.6914893E+05-0.6572785E+01 TeF6 4 -4.000 1 1.00036 6.000 6 TeF6 51.552 45.490 40.308 36.854 34.366 32.474 30.980 29.764 B674 TeF6 28.753 27.895 27.158 26.515 25.950 TeF6 0.4524894E+02 0.7361103E+04 0.4551377E-03 0.8975072E+05-0.7893295E+01 TeO 4 -2.000 1 1.000 2 1.00036 TeO 33.571 25.916 19.435 15.182 12.171 9.924 8.182 6.791 BA77 TeO 5.654 4.708 3.908 3.223 2.630 TeO 0.3903419E+01 0.1098306E+05 0.3962616E-03-0.1340609E+04-0.2939179E+01 TeO2 4 -3.000 1 2.000 2 1.00036 TeO2 53.103 41.769 32.172 25.870 21.403 18.067 15.477 13.406*B672 TeO2 11.712 10.299 9.103 8.077 7.188 TeO2 0.1078381E+02 0.1610160E+05 0.5538996E-03 0.1205303E+05-0.4844163E+01 Te2 3 -2.000 1 2.00036 Te2 -10.048 -8.708 -7.632 -6.963 -6.512 -6.190 -5.950 -5.766 B672 Te2 -5.619 -5.501 -5.403 -5.320 -5.249 Te2 0.3010651E+01-0.2176831E+04 0.3166935E-03-0.1749493E+05-0.2285397E+01 Te2F10 4 -7.000 1 2.0003610.000 6 Te2F10 56.601 53.952 51.567 49.864 48.551 47.490 46.602 45.843 B674 Te2F10 45.181 44.597 44.076 43.606 43.180 Te2F10 0.8891845E+02 0.7419000E+03 0.8130294E-03 0.1839196E+06-0.1500027E+02 Te2O2 4 -4.000 1 2.000 2 2.00036 Te2O2 30.033 23.788 18.421 14.838 12.260 10.307 8.772 7.530 BA77 Te2O2 6.503 5.638 4.900 4.262 3.704 Te2O2 0.2058091E+02 0.8189398E+04 0.7549727E-03 0.1384359E+05-0.7434484E+01 Ti 4 2.000 1-4.000 6 1.00024 Ti 147.505 114.726 87.215 69.335 56.795 47.519 40.385 34.730 B672 Ti 30.141 26.342 23.148 20.425 18.078 Ti -0.2664977E+02 0.4948675E+05-0.1509047E-03-0.5967666E+05 0.3593428E+01 TiBr 5 1.500 1-4.000 6 1.000 7 1.00024 TiBr 111.074 86.177 65.282 51.702 42.177 35.131 29.712 25.416 B674 TiBr 21.930 19.045 16.619 14.551 12.769 TiBr -0.2010369E+02 0.3749238E+05-0.3828136E-04-0.3689160E+05 0.2365805E+01 TiBr2 5 1.000 1-4.000 6 2.000 7 1.00024 TiBr2 53.273 40.876 30.469 23.709 18.971 15.472 12.784 10.657 B674 TiBr2 8.934 7.511 6.317 5.302 4.429 TiBr2 -0.1381745E+02 0.1889146E+05 0.6418071E-04-0.4151936E+05 0.1687713E+01 TiBr3 5 0.500 1-4.000 6 3.000 7 1.00024 TiBr3 29.677 22.888 17.175 13.455 10.843 8.911 7.426 6.250 B674 TiBr3 5.296 4.509 3.849 3.288 2.806 TiBr3 -0.4939709E+01 0.1028533E+05 0.1986919E-03-0.2825480E+05 0.1528137E+00 TiBr4 4 -4.000 6 4.000 7 1.00024 TiBr4 10.378 8.444 6.794 5.709 4.943 4.374 3.936 3.589 B674 TiBr4 3.308 3.077 2.885 2.722 2.583 TiBr4 0.1666498E+01 0.3026401E+04 0.2256460E-03-0.3288250E+05-0.4592592E+00 TiCl 5 1.500 1 1.000 5-4.000 6 1.00024 TiCl 110.643 85.826 64.998 51.462 41.968 34.945 29.542 25.261 B674 TiCl 21.785 18.909 16.490 14.429 12.652 TiCl -0.1999342E+02 0.3735567E+05-0.3846467E-04-0.3485043E+05 0.2323146E+01 TiCl2 5 1.000 1 2.000 5-4.000 6 1.00024 TiCl2 63.033 48.748 36.758 28.968 23.507 19.470 16.369 13.913 B674 TiCl2 11.922 10.276 8.894 7.717 6.704 TiCl2 -0.1391191E+02 0.2170139E+05 0.1198796E-05-0.4012988E+05 0.1862686E+01 TiCl3 5 0.500 1 3.000 5-4.000 6 1.00024 TiCl3 30.178 23.367 17.645 13.924 11.314 9.384 7.900 6.725 B674 TiCl3 5.773 4.986 4.326 3.764 3.281 TiCl3 -0.5090820E+01 0.1027748E+05 0.1206076E-03-0.1735776E+05 0.3868655E+00 (TiCl3)2 5 1.000 1 6.000 5-8.000 6 2.00024 (TiCl3)2 39.432 31.623 25.102 20.911 18.011 15.900 14.304 13.063 BA77 (TiCl3)2 12.076 11.277 10.619 10.072 9.612 (TiCl3)2-0.1618379E+02 0.1302398E+05 0.1436667E-03-0.1089334E+06 0.5300536E+01 TiCl4 4 4.000 5-4.000 6 1.00024 TiCl4 11.935 9.657 7.725 6.459 5.565 4.902 4.391 3.985 B674 TiCl4 3.656 3.384 3.157 2.963 2.797 TiCl4 0.1512796E+01 0.3472154E+04 0.1685148E-03-0.2223398E+05-0.4136710E+00 TiF 4 1.500 1-3.000 6 1.00024 TiF 103.512 80.117 60.488 47.734 38.788 32.173 27.084 23.052 B674 TiF 19.779 17.070 14.792 12.851 11.177 TiF -0.2019779E+02 0.3522649E+05-0.7666679E-04-0.3068419E+05 0.2395516E+01 TiF2 4 1.000 1-2.000 6 1.00024 TiF2 47.245 36.101 26.756 20.691 16.443 13.306 10.897 8.991 B674 TiF2 7.447 6.171 5.099 4.188 3.403 TiF2 -0.1434412E+02 0.1699858E+05-0.7592362E-04-0.3102680E+05 0.1999346E+01 TiF3 4 0.500 1-1.000 6 1.00024 TiF3 11.254 8.107 5.476 3.773 2.583 1.706 1.035 0.504 B674 TiF3 0.076 -0.278 -0.574 -0.825 -1.040 TiF3 -0.6145846E+01 0.4755450E+04 0.1752550E-04-0.1304459E+03 0.5844699E+00 TiO 5 1.000 1 1.000 2-4.000 6 1.00024 TiO 116.830 90.263 67.956 53.451 43.272 35.740 29.945 25.351 B672 TiO 21.621 18.535 15.939 13.727 11.820 TiO -0.2110201E+02 0.3992046E+05 0.8789456E-04-0.3996256E+05 0.1803004E+01 TiOCl 6 0.500 1 1.000 2 1.000 5-4.000 6 1.00024 TiOCl 85.453 66.146 49.922 39.365 31.950 26.460 22.234 18.881 JA71 TiOCl 16.158 13.904 12.007 10.390 8.997 TiOCl -0.1260165E+02 0.2890951E+05 0.1647886E-03-0.2842977E+05 0.5505757E+00 TiOCl2 5 1.000 2 2.000 5-4.000 6 1.00024 TiOCl2 52.194 40.238 30.176 23.619 19.009 15.592 12.959 10.870 JA71 TiOCl2 9.173 7.768 6.586 5.578 4.710 TiOCl2 -0.6227181E+01 0.1783229E+05 0.2675104E-03-0.2283618E+05-0.4895948E+00 TiOF 5 0.500 1 1.000 2-3.000 6 1.00024 TiOF 84.052 65.029 49.049 38.652 31.352 25.947 21.785 18.485 JA71 TiOF 15.803 13.583 11.716 10.123 8.750 TiOF -0.1270070E+02 0.2845116E+05 0.1290252E-03-0.2133965E+05 0.6177768E+00 TiOF2 4 1.000 2-2.000 6 1.00024 TiOF2 49.682 38.347 28.822 22.621 18.264 15.036 12.549 10.576 JA71 TiOF2 8.973 7.645 6.527 5.574 4.753 TiOF2 -0.5968418E+01 0.1680983E+05 0.1843576E-03-0.3152133E+04-0.3029168E+00 TiO2 4 2.000 2-4.000 6 1.00024 TiO2 97.801 75.380 56.535 44.267 35.647 29.263 24.346 20.445 B672 TiO2 17.275 14.650 12.442 10.559 8.936 TiO2 -0.1404292E+02 0.3343464E+05 0.2904675E-03-0.2476699E+05-0.4220780E-01 TiS 5 1.000 1 1.000 4-4.000 6 1.00024 TiS 127.248 98.628 74.598 58.975 48.014 39.905 33.668 28.725 B689 TiS 24.714 21.396 18.606 16.230 14.183 TiS -0.2182012E+02 0.4306241E+05 0.1486829E-03-0.4829190E+05 0.2075215E+01 V 4 2.000 1-4.000 5 1.00029 V 101.917 78.278 58.455 45.585 36.565 29.899 24.775 20.716 B672 V 17.422 14.697 12.405 10.451 8.766 V -0.2817143E+02 0.3593080E+05-0.3917985E-03-0.5118748E+05 0.4149850E+01 VBr4 4 -4.000 5 4.000 7 1.00029 VBr4 -11.915 -8.698 -6.003 -4.250 -3.017 -2.103 -1.397 -0.835*BA77 VBr4 -0.378 0.002 0.323 0.597 0.834 VBr4 0.2278406E+01-0.4553454E+04-0.6569288E-04-0.2415760E+05 0.5537880E+00 VF5 5 -0.500 1-4.000 5 5.000 6 1.00029 VF5 20.216 17.176 14.630 12.972 11.803 10.931 10.253 9.710 B674 VF5 9.263 8.888 8.567 8.290 8.046 VF5 0.5673968E+01 0.4300014E+04-0.2771233E-03 0.2853058E+05-0.4791333E-01 VO 5 1.000 1 1.000 2-4.000 5 1.00029 VO 76.831 58.334 42.826 32.760 25.708 20.498 16.495 13.325 B672 VO 10.754 8.628 6.841 5.320 4.008 VO -0.2473748E+02 0.2809448E+05-0.2188379E-03-0.3702723E+05 0.3160697E+01 VOCl3 5 -0.500 1 1.000 2-1.000 5 1.00029 VOCl3 -1.081 -0.884 -0.749 -0.681 -0.646 -0.627 -0.618 -0.615*BA73 VOCl3 -0.616 -0.619 -0.624 -0.629 -0.634 VOCl3 0.2759295E+01-0.3290386E+03 0.8579381E-04-0.1722333E+05-0.1038033E+01 VO2 4 2.000 2-4.000 5 1.00029 VO2 57.327 42.988 30.950 23.123 17.630 13.565 10.437 7.956 JA75 VO2 5.941 4.272 2.869 1.672 0.639 VO2 -0.1750502E+02 0.2154499E+05-0.3429696E-04-0.1908572E+05 0.1129427E+01 W 4 3.000 1 1.00018-4.000 2 W 128.656 100.896 77.668 62.621 52.099 44.339 38.386 33.680 B672 W 29.869 26.721 24.079 21.831 19.895 W -0.2988494E+02 0.4239296E+05-0.5326223E-03-0.4623868E+05 0.6883632E+01 WBr 5 2.500 1 1.000 7 1.00018-4.000 2 WBr 90.441 70.727 54.271 43.647 36.247 30.811 26.660 23.393 B674 WBr 20.759 18.594 16.785 15.252 13.939 WBr -0.3220615E+02 0.3082383E+05-0.4393439E-03-0.7434685E+05 0.8175874E+01 WBr5 5 0.500 1 5.000 7 1.00018-4.000 2 WBr5 -3.657 -0.882 1.472 3.030 4.149 4.996 5.666 6.210 B674 WBr5 6.663 7.048 7.379 7.668 7.923 WBr5 0.3973548E+00-0.3306917E+04-0.8000308E-04-0.6081581E+05 0.3129989E+01 WBr6 4 6.000 7 1.00018-4.000 2 WBr6 0.871 3.900 6.443 8.106 9.285 10.169 10.859 11.415 B674 WBr6 11.873 12.259 12.589 12.874 13.124 WBr6 0.1028524E+02-0.3891314E+04 0.1108254E-04-0.5821082E+05 0.1733189E+01 WCl 5 2.500 1 1.000 5 1.00018-4.000 2 WCl 94.466 73.933 56.790 45.720 38.006 32.338 28.007 24.597 B674 WCl 21.847 19.585 17.695 16.093 14.719 WCl -0.3187929E+02 0.3199134E+05-0.4251301E-03-0.6889881E+05 0.8061434E+01 WCl2 5 2.000 1 2.000 5 1.00018-4.000 2 WCl2 15.329 11.468 8.310 6.327 4.988 4.037 3.335 2.803 B674 WCl2 2.390 2.063 1.801 1.587 1.411 WCl2 -0.2446645E+02 0.7070437E+04-0.3959118E-03-0.6602069E+05 0.6846686E+01 WCl4 5 1.000 1 4.000 5 1.00018-4.000 2 WCl4 0.056 1.068 1.970 2.603 3.083 3.466 3.784 4.053 B674 WCl4 4.286 4.490 4.672 4.835 4.982 WCl4 -0.8057715E+01-0.5909142E+03-0.1730917E-03-0.5048678E+05 0.4330303E+01 WCl5 5 0.500 1 5.000 5 1.00018-4.000 2 WCl5 7.781 8.230 8.639 8.934 9.166 9.356 9.517 9.657 B674 WCl5 9.780 9.891 9.990 10.080 10.162 WCl5 0.7517070E+00 0.1167074E+02-0.1231268E-03-0.4211416E+05 0.3031196E+01 (WCl5)2 5 1.000 110.000 5 2.00018-8.000 2 (WCl5)2 13.043 15.445 17.473 18.815 19.780 20.514 21.096 21.572 B674 (WCl5)2 21.969 22.308 22.600 22.855 23.080 (WCl5)2 0.1261768E+02-0.2432530E+04-0.2130514E-03-0.9726651E+05 0.3936870E+01 WCl6 4 6.000 5 1.00018-4.000 2 WCl6 15.377 15.422 15.467 15.507 15.546 15.583 15.620 15.656 B674 WCl6 15.690 15.723 15.754 15.784 15.812 WCl6 0.1066563E+02 0.3801289E+03-0.2879532E-04-0.3731999E+05 0.1561851E+01 WF 5 2.500 1 1.000 6 1.00018-4.000 2 WF 96.750 75.740 58.200 46.873 38.980 33.179 28.746 25.254 B674 WF 22.437 20.120 18.182 16.540 15.131 WF -0.3217385E+02 0.3267767E+05-0.4643637E-03-0.6380388E+05 0.8154800E+01 WF6 4 -4.000 2 6.000 6 1.00018 WF6 -9.549 -4.474 -0.162 2.676 4.690 6.197 7.366 8.302 B674 WF6 9.068 9.706 10.246 10.709 11.109 WF6 0.8873110E+01-0.7279690E+04-0.3198334E-03 0.1059343E+05 0.2412743E+01 WO 4 2.000 1-3.000 2 1.00018 WO 100.377 78.153 59.574 47.559 39.172 33.001 28.278 24.554 B672 WO 21.546 19.070 16.997 15.238 13.728 WO -0.3159570E+02 0.3435901E+05-0.3218519E-03-0.6661001E+05 0.7103501E+01 WOCl4 4 -3.000 2 4.000 5 1.00018 WOCl4 3.963 4.818 5.571 6.089 6.474 6.775 7.019 7.224 JA71 WOCl4 7.399 7.551 7.684 7.803 7.910 WOCl4 0.2012801E+01-0.8876936E+03-0.4181053E-05-0.1402323E+05 0.2055594E+01 WOF4 4 -3.000 2 4.000 6 1.00018 WOF4 -3.425 -1.180 0.756 2.051 2.982 3.689 4.245 4.696 JA74 WOF4 5.070 5.385 5.656 5.890 6.095 WOF4 0.1656496E+01-0.3109519E+04-0.1203549E-03 0.1191593E+05 0.2121539E+01 WO2 4 1.000 1-2.000 2 1.00018 WO2 72.605 56.146 42.384 33.483 27.272 22.702 19.206 16.451 B672 WO2 14.226 12.396 10.866 9.568 8.456 WO2 -0.2464874E+02 0.2545045E+05-0.1212606E-03-0.5264067E+05 0.5060058E+01 WO2Cl2 4 -2.000 2 2.000 5 1.00018 WO2Cl2 -11.638 -9.350 -7.402 -6.110 -5.181 -4.476 -3.919 -3.466 JA71 WO2Cl2 -3.088 -2.766 -2.488 -2.245 -2.031 WO2Cl2 -0.6955790E+01-0.2877965E+04 0.4792259E-04-0.3318071E+05 0.2153781E+01 WO3 3 -1.000 2 1.00018 WO3 58.585 45.528 34.588 27.496 22.535 18.876 16.073 13.858 B672 WO3 12.068 10.593 9.357 8.309 7.409 WO3 -0.1369563E+02 0.1992737E+05 0.1176325E-03-0.3437411E+05 0.2342133E+01 (WO3)2 3 -2.000 2 2.00018 (WO3)2 24.081 18.290 13.411 10.240 8.024 6.395 5.153 4.179 B672 (WO3)2 3.397 2.759 2.230 1.785 1.408 (WO3)2 -0.1023435E+02 0.9371034E+04 0.3453063E-03-0.8690019E+05 0.1519184E+01 (WO3)3 3 -3.000 2 3.00018 (WO3)3 -6.279 -5.191 -4.288 -3.689 -3.251 -2.906 -2.623 -2.381 B672 (WO3)3 -2.169 -1.980 -1.810 -1.655 -1.512 (WO3)3 -0.8330247E+01-0.6229405E+03 0.4185960E-03-0.1064542E+06 0.2106733E+01 (WO3)4 3 -4.000 2 4.00018 (WO3)4 -23.458 -18.279 -13.967 -11.163 -9.178 -7.688 -6.521 -5.576 B672 (WO3)4 -4.790 -4.123 -3.549 -3.046 -2.603 (WO3)4 -0.5537232E+01-0.6388231E+04 0.5662194E-03-0.1554067E+06 0.2054762E+01 W3O8 4 1.000 1-4.000 2 3.00018 W3O8 3.781 2.365 1.200 0.482 0.016 -0.294 -0.504 -0.645 B672 W3O8 -0.738 -0.797 -0.831 -0.846 -0.849 W3O8 -0.1889094E+02 0.3585371E+04 0.1956118E-03-0.1265644E+06 0.4854305E+01 Zn 4 1.000 1-2.000 5 1.00011 Zn 30.456 22.967 16.700 12.640 9.799 7.703 6.094 4.821 B672 Zn 3.789 2.936 2.219 1.609 1.083 Zn -0.1187542E+02 0.1138476E+05-0.1658256E-03-0.7288377E+04 0.1728956E+01 ZnBr2 4 2.000 7 1.00011-2.000 5 ZnBr2 -6.905 -5.480 -4.283 -3.504 -2.957 -2.550 -2.237 -1.988 BA73 ZnBr2 -1.784 -1.616 -1.473 -1.351 -1.245 ZnBr2 0.4069312E+00-0.2120873E+04 0.3570918E-04-0.2090928E+03-0.8357775E-01 ZnS 4 1.000 4 1.00011-2.000 5 ZnS 46.750 35.955 26.890 20.993 16.853 13.787 11.427 9.555 B689 ZnS 8.034 6.775 5.716 4.813 4.034 ZnS -0.7561733E+01 0.1607284E+05 0.1049137E-03-0.3919904E+04 0.1681115E+00 ******** Begin Solids and Liquids ******** acanthit 247.80 3 1.000 4-2.000 5 2.00039 acanthit -60.904 -46.554 -34.598 -26.937 -21.592 -17.659 -14.649 -12.279 *B689 acanthit -10.364 -8.787 -7.467 -6.346 -5.384 acanthit 0.2009949E+02-0.2120866E+05 0.1667468E-03-0.9842491E+05-0.3562112E+01 acmite 231.01 7 -0.500 1 6.000 2-3.000 5 -8.00 6 1.000 8 2.00021 1.00010 acmite acmite acmite Ag(C) 107.87 3 0.500 1-1.000 5 1.00039 Ag(C) -29.976 -22.970 -17.095 -13.278 -10.602 -8.625 -7.105 -5.902 *B672 Ag(C) -4.928 -4.124 -3.450 -2.878 -2.387 Ag(C) 0.3967341E+01-0.1031276E+05-0.2998314E-03-0.1051379E+05 0.3449157E+00 Ag2O(C) 231.74 3 1.000 2-2.000 5 2.00039 Ag2O(C) -21.883 -15.308 -9.843 -6.338 -3.916 -2.157 -0.832 0.194 *B672 Ag2O(C) 1.004 1.654 2.182 2.615 2.972 Ag2O(C) 0.1397282E+02-0.9990811E+04-0.1121925E-02-0.7109252E+03-0.8098621E+00 AgBr(C) 187.77 3 -1.000 5 1.000 7 1.00039 AgBr(C) -37.631 -28.382 -20.659 -15.683 -12.239 -9.740 -7.869 -6.436 *B674 AgBr(C) -5.322 -4.448 -3.761 -3.220 -2.798 AgBr(C) -0.1542883E+02-0.1242232E+05-0.4678580E-02-0.8965337E+05 0.8836744E+01 Ag2O2(C) 247.73 4 -1.000 1 2.000 2-2.000 5 2.00039 Ag2O2(C) 24.924 22.724 20.773 19.421 18.407 17.606 16.947 16.388 *B672 Ag2O2(C) 15.903 15.473 15.087 14.736 14.413 Ag2O2(C) 0.2288717E+02 0.2791083E+04-0.1001570E-02-0.7332272E+04-0.2806035E+01 akermani 272.63 6 7.000 2-6.000 5-8.000 6 2.00021 1.00022 2.00023 akermani -58.893 -46.908 -36.993 -30.640 -26.246 -23.041 -20.611 -18.713 *BE88 akermani -17.195 -15.957 -14.931 -14.070 -13.337 akermani 0.1698983E+02-0.1837331E+05-0.9823945E-04-0.3632561E+05-0.5585070E+01 akimotoi 100.39 5 3.000 2 1.00022 1.00021-2.000 5-4.000 6 akimotoi akimotoi akimotoi akimo-Fe 131.93 5 3.000 2 1.00010 1.00021-2.000 5-4.000 6 akimo-Fe akimo-Fe akimo-Fe Al(C) 26.98 3 1.500 1-3.000 6 1.00013 Al(C) 64.481 50.711 39.140 31.611 26.324 22.407 19.390 16.993 *B672 Al(C) 15.044 13.426 12.062 10.896 9.887 Al(C) -0.1008247E+02 0.2092650E+05-0.3877441E-03-0.4192933E+05 0.2005703E+01 AlBr3(C) 266.69 3 -3.000 6 3.000 7 1.00013 AlBr3(C) 7.015 7.355 7.534 7.568 7.533 7.464 7.379 7.287 *B674 AlBr3(C) 7.192 7.098 7.007 6.918 6.833 AlBr3(C) 0.2874810E+02-0.1622062E+04 0.4391305E-03 0.3100287E+05-0.6778246E+01 AlCl3(C) 133.34 3 3.000 5-3.000 6 1.00013 AlCl3(C) 4.190 5.485 6.498 7.093 7.459 7.684 7.817 7.885 *B674 AlCl3(C) 7.906 7.892 7.851 7.789 7.709 AlCl3(C) 0.7450487E+01-0.1710703E+04-0.2108201E-02-0.3936190E+05 0.1434110E+01 AlF3(C) 83.98 1 1.00013 AlF3(C) -41.498 -30.966 -22.158 -16.460 -12.485 -9.567 -7.336 -5.577 *B674 AlF3(C) -4.157 -2.988 -2.010 -1.182 -0.471 AlF3(C) 0.2595301E+02-0.1675011E+05 0.3995253E-03 0.7590784E+05-0.4948074E+01 Al2O3-gl 101.96 3 3.000 2-6.000 6 2.00013 Al2O3-gl -24.867 -19.642 -15.334 -12.592 -10.710 -9.348 -8.323 -7.529 *B672 Al2O3-gl -6.899 -6.390 -5.973 -5.626 -5.334 Al2O3-gl 0.1346318E+02-0.8387146E+04 0.4437806E-04 0.6663363E+04-0.4157624E+01 Al2S3(C) 150.14 3 3.000 4-6.000 6 2.00013 Al2S3(C) 34.376 27.529 21.667 17.780 15.003 12.915 11.284 9.973 *B689 Al2S3(C) 8.893 7.989 7.219 6.555 5.976 Al2S3(C) 0.1078652E+02 0.9974450E+04 0.2551628E-03-0.5533014E+05-0.3765979E+01 Al2.3SO4 342.14 5 -12.00 112.000 2 3.000 4-6.000 6 2.00013 Al2.3SO4 84.045 73.121 63.500 56.872 51.947 48.095 44.969 42.371 *RO78 Al2.3SO4 40.171 38.282 36.639 35.198 33.922 Al2.3SO4 0.1510849E+03 0.8266712E+04 0.4008124E-02 0.4171265E+06-0.4067684E+02 alabandi 87.00 3 1.000 4-2.000 5 1.00028 alabandi -17.173 -13.299 -10.065 -7.974 -6.513 -5.436 -4.611 -3.960 *B689 alabandi -3.434 -3.000 -2.638 -2.331 -2.068 alabandi 0.2357973E+01-0.5661327E+04-0.1480566E-03-0.1963131E+05-0.1122911E+00 albit-hi 262.22 6 8.000 2-1.000 5-15.00 6 1.000 8 1.00013 3.00021 1.0 4 albit-hi 1.417 -0.559 -2.395 -3.712 -4.719 -5.524 -6.189 -6.750 *BE88 albit-hi -7.232 -7.652 -8.021 -8.349 -8.642 albit-hi 0.1708605E+02 0.1794031E+04 0.6202553E-03-0.1021762E+05-0.8792227E+01 albit-lo 262.22 6 8.000 2-1.000 5-15.00 6 1.000 8 1.00013 3.00021 albit-lo -0.059 -1.560 -2.997 -4.054 -4.879 -5.549 -6.109 -6.587 *BE88 albit-lo -7.002 -7.366 -7.688 -7.976 -8.234 albit-lo 0.1784087E+02 0.1101778E+04 0.6106876E-03-0.1143097E+05-0.8748789E+01 almandin 497.75 6 12.000 2-6.000 5-18.00 6 3.00010 2.00013 3.00021 almandin -27.036 -21.987 -18.020 -15.643 -14.117 -13.094 -12.387 -11.890 *BE88 almandin -11.535 -11.280 -11.097 -10.965 -10.871 almandin 0.4762328E+02-0.1023939E+05 0.1013290E-02 0.7404326E+05-0.1675146E+02 alunite 414.20 7 -8.000 114.000 2 2.000 4-1.000 5-9.000 6 1.000 9 3.00013 alunite -15.050 -1.729 8.938 15.418 19.628 22.493 24.508 25.960 *HEL alunite 27.025 27.816 28.410 28.858 29.198 alunite 0.1930864E+03-0.2908951E+05 0.3806128E-02 0.4821902E+06-0.4733564E+02 amesite 557.40 6 -8.000 5-20.00 6 4.00022 4.00013 2.00021 18.00 2 amesite amesite amesite analcite 220.15 6 -1.000 5-11.00 6 1.000 8 1.00013 2.00021 7.000 2 analcite analcite analcite anatase 79.88 3 2.000 2-4.000 6 1.00024 anatase -2.345 -2.446 -2.577 -2.694 -2.796 -2.887 -2.966 -3.037 *B672 anatase -3.100 -3.156 -3.206 -3.252 -3.293 anatase 0.4002192E+01-0.1327192E+03 0.2486660E-03-0.5766528E+04-0.2388940E+01 andalusi 162.05 4 5.000 2-10.00 6 2.00013 1.00021 andalusi -16.058 -13.393 -11.264 -9.957 -9.094 -8.494 -8.062 -7.742 *BE88 andalusi -7.499 -7.311 -7.163 -7.046 -6.951 andalusi 0.1631955E+02-0.4955010E+04 0.4941271E-03 0.1939403E+05-0.6516055E+01 andradit 508.18 7 -1.000 1 12.00 2 2.00010 3.00023 3.00021-10.00 5-12.00 6 andradit andradit andradit anglesit 303.26 5 -4.000 1 4.000 2 1.000 4-2.000 5 1.00016 anglesit 22.234 20.149 18.262 16.926 15.904 15.078 14.382 13.778 *RO78 anglesit 13.239 12.751 12.300 11.880 11.484 anglesit 0.1362393E+02 0.3158933E+04-0.2368661E-02-0.6041532E+05-0.2421487E+00 anhydrit 136.14 5 -4.000 1 4.000 2 1.000 4-2.000 5 1.00023 anhydrit -14.946 -9.394 -4.854 -2.002 -0.079 1.282 2.277 3.020 *RO78 anhydrit 3.583 4.014 4.344 4.596 4.787 anhydrit 0.2240302E+02-0.8790533E+04-0.1540663E-02-0.7416236E+04-0.2959338E+01 ankerite 215.95 5 2.000 2 2.000 3 1.00010 1.00023-4.000 5 ankerite ankerite ankerite annite 511.89 7 -7.000 5-15.00 6 1.000 9 3.00010 1.00013 3.0002112.000 2 annite annite annite anorthit 278.21 6 8.000 2-2.000 5-14.00 6 2.00013 2.00021 1.00023 1.0 4 anorthit -36.379 -30.063 -24.929 -21.710 -19.532 -17.981 -16.833 -15.958 *BE88 anorthit -15.277 -14.736 -14.300 -13.943 -13.648 anorthit 0.1911266E+02-0.1049948E+05 0.2451384E-03-0.4214012E+04-0.8204499E+01 anthophy 780.82 5 24.000 2-14.00 5-32.00 6 8.00021 7.00022 anthophy-110.422 -88.249 -70.118 -58.700 -50.953 -45.420 -41.315 -38.180 *BE88 anthophy -35.729 -33.777 -32.196 -30.899 -29.821 anthophy 0.9372589E+02-0.3837010E+05 0.1512193E-02 0.1825452E+06-0.3150501E+02 antho-Fe 1001.62 5 -14.00 5-32.00 6 7.00010 8.0002124.000 2 antho-Fe antho-Fe antho-Fe antig/16 283.50 5 9.188 2-6.000 5-8.500 6 2.12521 3.00022 antig/16 -70.765 -53.023 -38.312 -28.908 -22.433 -17.740 -14.205 -11.463 *BE88 antig/16 -9.285 -7.521 -6.069 -4.856 -3.831 antig/16 0.7134453E+02-0.3011948E+05 0.9008758E-03 0.2228473E+06-0.1772646E+02 antimony 121.75 3 1.500 1-3.000 5 1.00020 antimony 2.748 1.460 0.401 -0.271 -0.731 -1.064 -1.316 -1.514 *B672 antimony -1.673 -1.804 -1.915 -2.010 -2.093 antimony-0.1113536E+02 0.2353769E+04-0.4665167E-03-0.2048587E+05 0.2569612E+01 antimnse 480.40 3 -6.000 5 2.00020 3.00035 antimnse antimnse antimnse aragonit 100.09 4 1.000 2 1.000 3-2.000 5 1.00023 aragonit aragonit aragonit arsenoli 197.84 3 3.000 2-6.000 5 2.00019 arsenoli 6.161 4.811 3.616 2.782 2.148 1.638 1.208 0.834 *B672 arsenoli 0.500 0.196 -0.085 -0.349 -0.599 arsenoli-0.3969829E+00 0.1918916E+04-0.1643095E-02-0.9531922E+04 0.2905587E+00 artinite 196.69 4 6.000 2-4.000 5 1.000 3 2.00022 artinite artinite artinite arsenic 74.92 3 1.500 1-3.000 5 1.00019 arsenic -6.534 -5.981 -5.495 -5.161 -4.913 -4.721 -4.567 -4.441 *B672 arsenic -4.335 -4.246 -4.170 -4.104 -4.047 arsenic -0.1066449E+02-0.3914042E+03-0.3541791E-03-0.2151986E+05 0.2340325E+01 As2O5(C) 229.84 4 -2.000 1 5.000 2-6.000 5 2.00019 As2O5(C) 50.132 41.172 33.546 28.489 24.858 22.101 19.917 18.131 *B672 As2O5(C) 16.632 15.346 14.223 13.229 12.337 As2O5(C) 0.9512485E+01 0.1288619E+05-0.2305909E-02 0.5460201E+04-0.7981236E+00 As2S3(V) 246.02 3 3.000 4 2.00019-6.000 5 As2S3(V) -7.663 -6.341 -5.309 -4.747 -4.495 -4.474 -4.635 -4.946 *B689 As2S3(V) -5.381 -5.922 -6.555 -7.268 -8.051 As2S3(V)-0.1199093E+03 0.4689215E+04-0.1899200E-01-0.4175012E+06 0.4319279E+02 As2Te3-C 532.64 3 3.00036 2.00019-6.000 5 As2Te3-C -64.690 -51.821 -41.097 -34.178 -29.380 -25.888 -23.260 -21.234 *B677 As2Te3-C -19.645 -18.385 -17.378 -16.569 -15.921 As2Te3-C-0.2901268E+02-0.1731782E+05-0.5355554E-02-0.1434688E+06 0.1035324E+02 As4S4(B) 427.93 4 2.000 1 4.000 4 4.00019-12.00 5 As4S4(B) -25.405 -21.439 -18.190 -16.131 -14.724 -13.715 -12.965 -12.395 *B689 As4S4(B) -11.954 -11.610 -11.340 -11.128 -10.963 As4S4(B)-0.1065782E+02-0.5257199E+04-0.1544755E-02-0.9001277E+05 0.1761498E+01 Au(C) 196.97 1 1.00040 Au(C) -57.190 -44.305 -33.491 -26.461 -21.528 -17.877 -15.067 -12.840 *B672 Au(C) -11.032 -9.535 -8.277 -7.205 -6.281 Au(C) 0.7888563E+01-0.1916812E+05-0.1466339E-03-0.8302564E+03-0.2971766E+00 azurite 344.67 5 -1.500 1-3.000 5 3.00014 4.000 2 2.000 3 azurite azurite azurite berndtit 182.81 4 -1.000 1 2.000 4-2.000 5 1.00038 berndtit -10.133 -6.820 -4.117 -2.416 -1.260 -0.433 0.184 0.657 *B689 berndtit 1.028 1.325 1.567 1.765 1.931 berndtit 0.1743348E+02-0.5407512E+04 0.1353761E-03-0.6732862E+04-0.3796505E+01 Bi(C) 208.98 3 1.500 1-3.000 5 1.00015 Bi(C) -5.384 -4.960 -4.578 -4.312 -4.116 -3.966 -3.851 -3.761 *B672 Bi(C) -3.690 -3.636 -3.594 -3.564 -3.543 Bi(C) -0.1359643E+02-0.6834660E+02-0.9481094E-03-0.2338505E+05 0.3632106E+01 BiBr3(C) 448.69 3 3.000 7 1.00015-3.000 5 BiBr3(C) -20.995 -14.730 -9.560 -6.251 -3.933 -2.218 -0.899 0.146 *B674 BiBr3(C) 0.995 1.698 2.289 2.793 3.228 BiBr3(C)-0.1876238E+01-0.7492627E+04-0.6018654E-03-0.2259297E+06 0.3528898E+01 BiCl3(C) 315.34 1 1.00015 BiCl3(C) -10.518 -6.538 -3.255 -1.174 0.242 1.251 1.994 2.553 *B674 BiCl3(C) 2.979 3.306 3.558 3.751 3.897 BiCl3(C) 0.1057617E+02-0.6055485E+04-0.1501532E-02-0.5319073E+04-0.1117510E+00 BiF3(C) 265.98 3 3.000 6 1.00015-3.000 5 BiF3(C) -7.482 -3.936 -0.988 0.892 2.170 3.074 3.727 4.205 *B674 BiF3(C) 4.553 4.803 4.978 5.092 5.156 BiF3(C) -0.3499666E+01-0.4689910E+04-0.3303384E-02-0.2890581E+05 0.5277101E+01 Bi2O3(C) 465.96 3 3.000 2-6.000 5 2.00015 Bi2O3(C) 22.914 18.364 14.465 11.869 10.001 8.584 7.466 6.557 *B672 Bi2O3(C) 5.693 4.918 4.252 3.672 3.161 Bi2O3(C)-0.3143580E+02 0.8927388E+04-0.4783324E-02-0.1768492E+06 0.1124547E+02 Bi2S3(C) 514.14 3 3.000 4 2.00015-6.000 5 Bi2S3(C) -24.221 -19.285 -15.222 -12.638 -10.866 -9.584 -8.622 -7.878 *B689 Bi2S3(C) -7.289 -6.816 -6.430 -6.111 -5.845 Bi2S3(C) 0.8882019E+01-0.7655929E+04-0.2581515E-03-0.1853714E+05-0.2885268E+01 Bi2S3(l) 514.14 3 3.000 4 2.00015-6.000 5 Bi2S3(l) -18.838 -14.909 -11.903 -10.159 -9.079 -8.383 -7.926 -7.624 *B689 Bi2S3(l) -7.429 -7.306 -7.237 -7.206 -7.203 Bi2S3(l) 0.3890665E+02-0.7446635E+04 0.3189215E-03-0.3970629E+05-0.1310072E+02 bioti-Mn 509.16 7 -7.000 5-15.00 6 1.000 9 3.00028 1.00013 3.0002112.000 2 bioti-Mn bioti-Mn bioti-Mn bixbyite 157.87 4 -1.000 1 3.000 2-4.000 5 2.00028 bixbyite -3.535 -1.225 0.613 1.740 2.483 2.999 3.367 3.636 *B672 bixbyite 3.834 3.981 4.089 4.168 4.222 bixbyite 0.1274148E+02-0.3370944E+04-0.6558263E-03-0.6086584E+05-0.1652902E+01 boehmite 59.99 3 -3.000 6 1.00013 2.000 2 boehmite boehmite boehmite bornite 501.82 5 -0.500 1 4.000 4-7.000 5 1.00010 5.00014 bornite -190.689-146.472-109.566 -85.901 -69.506 -57.500 -48.355 -41.174 *B689 bornite -35.399 -30.663 -26.715 -23.379 -20.527 bornite 0.1337902E+03-0.7254146E+05 0.3752780E-02 0.3738125E+06-0.3495995E+02 Br2(l) 159.81 2 -1.000 1 2.000 7 Br2(l) 18.722 16.104 13.788 12.192 11.011 10.091 9.348 8.732 *B672 Br2(l) 8.210 7.760 7.367 7.019 6.708 Br2(l) 0.2277895E+02 0.3062524E+04 0.1820652E-03 0.1440841E+03-0.5813293E+01 brucite 58.32 3 2.000 2-2.000 5 1.00022 brucite -29.704 -21.465 -14.594 -10.172 -7.104 -4.864 -3.163 -1.834 *BE88 brucite -0.770 0.098 0.817 1.421 1.935 brucite 0.2702342E+02-0.1341842E+05 0.1086655E-03 0.7822869E+05-0.5105840E+01 CBr4(C) 331.63 3 -2.000 2 1.000 3 4.000 7 CBr4(C) 34.802 31.966 29.316 27.464 26.099 25.058 24.246 23.605 *B674 CBr4(C) 23.096 22.690 22.367 22.115 21.920 CBr4(C) 0.5730603E+02 0.3553368E+04 0.3865328E-02-0.1472628E+06-0.1370682E+02 CCl4(l) 153.82 3 -2.000 2 1.000 3 4.000 5 CCl4(l) 44.341 39.227 34.820 31.866 29.731 28.102 26.810 25.754 *B674 CCl4(l) 24.870 24.115 23.460 22.884 22.372 CCl4(l) 0.3031756E+02 0.7090719E+04-0.4684508E-03-0.1775278E+05-0.3806758E+01 CaBr2(C) 199.89 3 -2.000 5 2.000 7 1.00023 CaBr2(C) -47.000 -35.640 -26.136 -19.984 -15.684 -12.517 -10.092 -8.179 *B674 CaBr2(C) -6.634 -5.362 -4.299 -3.398 -2.626 CaBr2(C) 0.1517172E+02-0.1719223E+05-0.2157558E-03 0.8545757E+04-0.1834967E+01 CaCl2(C) 110.99 1 1.00023 CaCl2(C) -47.115 -35.714 -26.171 -19.988 -15.664 -12.478 -10.036 -8.109 *B674 CaCl2(C) -6.553 -5.272 -4.201 -3.294 -2.518 CaCl2(C) 0.1267874E+02-0.1708302E+05-0.3920853E-03-0.1770312E+04-0.9538325E+00 calcite 100.09 4 1.000 2 1.000 3-2.000 5 1.00023 calcite -37.985 -27.979 -19.610 -14.197 -10.423 -7.652 -5.537 -3.876 *BE88 calcite -2.540 -1.446 -0.536 0.232 0.886 calcite 0.2009605E+02-0.1552697E+05-0.3188960E-03 0.4564478E+05-0.2595125E+01 calcium 40.08 3 1.000 1-2.000 5 1.00023 calcium 50.554 40.457 31.987 26.480 22.612 19.740 17.522 15.756 *B672 calcium 14.314 13.112 12.092 11.214 10.447 calcium -0.7030381E+01 0.1534752E+05-0.8796658E-03-0.1428135E+05 0.2639562E+01 CaS(C) 72.14 3 1.000 4-2.000 5 1.00023 CaS(C) -25.595 -19.776 -14.916 -11.773 -9.578 -7.961 -6.722 -5.744 B689 CaS(C) -4.954 -4.302 -3.756 -3.293 -2.895 CaS(C) 0.6636357E+01-0.8754575E+04-0.1070655E-04-0.6860013E+04-0.1126723E+01 CaPxTsch 218.12 6 6.000 2-2.000 5-10.00 6 2.00013 1.00021 1.00023 CaPxTsch -44.679 -35.684 -28.260 -23.528 -20.275 -17.917 -16.140 -14.762 *BE88 Name changed from Ca-Al.PX, because now Eskola CaPxEsko also exists CaPxTsch -13.666 -12.777 -12.045 -11.434 -10.916 CaPxTsch 0.2345967E+02-0.1464770E+05 0.3515015E-03 0.3422816E+05-0.7880420E+01 CaPxEsko 199.19 6 -1.000 5-11.00 6 1.00013 2.00021 0.50023 6.000 2 CaPxEsko CaPxEsko CaPxEsko carnegLO 142.05 6 -1.000 5-7.000 6 1.000 8 1.00013 1.00021 4.000 2 carnegLO carnegLO carnegLO carnegHI 142.05 6 -1.000 5-7.000 6 1.000 8 1.00013 1.00021 4.000 2 carnegHI carnegHI carnegHI carph-Mg 298.47 6 -2.000 5-14.00 6 1.00022 2.00013 2.00021 10.00 2 carph-Mg carph-Mg carph-Mg carph-Fe 330.07 6 -2.000 5-14.00 6 1.00010 2.00013 2.00021 10.00 2 carph-Fe carph-Fe carph-Fe cassiter 150.69 4 -1.000 1 2.000 2-2.000 5 1.00038 cassiter -8.075 -5.146 -2.746 -1.237 -0.218 0.506 1.039 1.440 *B672 cassiter 1.750 1.992 2.183 2.335 2.456 cassiter 0.1764966E+02-0.5077752E+04-0.1638734E-03 0.3128220E+05-0.3635937E+01 celadoni 396.75 7 -3.000 5-19.00 6 1.000 9 1.00022 1.00013 4.00021 12.00 2 celadoni celadoni celadoni celad-Fe 428.28 7 -3.000 5-19.00 6 1.000 9 1.00010 1.00013 4.00021 12.00 2 celad-Fe celad-Fe celad-Fe celestit 183.68 5 -4.000 1-2.000 5 1.00030 4.000 2 1.000 4 celestit celestit celestit cerussit 267.20 4 1.000 2 1.000 3 1.00016-2.000 5 cerussit cerussit cerussit Cd(C) 112.41 1 1.00012 Cd(C) -13.542 -9.611 -6.323 -4.197 -2.714 -1.624 -0.792 -0.139 *B672 Cd(C) 0.386 0.816 1.173 1.472 1.726 Cd(C) 0.6696899E+01-0.5886264E+04-0.3195278E-03-0.6666275E+03-0.1590580E+00 CdBr2(C) 272.22 3 -1.000 1 2.000 7 1.00012 CdBr2(C) -46.724 -34.248 -23.839 -17.122 -12.446 -9.016 -6.402 -4.351 *B674 CdBr2(C) -2.704 -1.357 -0.239 0.701 1.499 CdBr2(C) 0.2255681E+02-0.1891762E+05-0.6737567E-03 0.1090986E+04-0.2280179E+01 CdCl2(C) 183.32 3 -1.000 1 2.000 5 1.00012 CdCl2(C) -40.407 -29.215 -19.881 -13.860 -9.670 -6.597 -4.255 -2.417 *B674 CdCl2(C) -0.941 0.267 1.271 2.116 2.835 CdCl2(C) 0.2391790E+02-0.1710678E+05-0.4095856E-03 0.9121579E+04-0.2800181E+01 CdO(C) 128.40 3 -1.000 1 1.000 2 1.00012 CdO(C) -13.524 -9.035 -5.317 -2.940 -1.300 -0.107 0.794 1.496 *B672 CdO(C) 2.056 2.511 2.886 3.200 3.466 CdO(C) 0.1808505E+02-0.7184997E+04 0.6261001E-04 0.1390488E+05-0.3105985E+01 CdS(C) 144.47 3 -1.000 1 1.000 4 1.00012 1.0 9 CdS(C) -33.239 -24.794 -17.753 -13.210 -10.046 -7.721 -5.945 -4.546 *B689 CdS(C) -3.418 -2.490 -1.714 -1.058 -0.495 CdS(C) 0.1720527E+02-0.1295127E+05 0.1023410E-03 0.3619820E+04-0.2859954E+01 chalcoci 159.15 3 1.000 4-2.000 5 2.00014 chalcoci -64.025 -49.200 -36.952 -29.066 -23.578 -19.549 -16.470 -14.039 *B689 chalcoci -12.075 -10.455 -9.098 -7.945 -6.955 chalcoci 0.1277207E+02-0.2096092E+05-0.1119879E-03-0.2105146E+06-0.1653178E+01 chalcopy 183.51 5 -0.500 1 2.000 4-3.000 5 1.00010 1.00014 chalcopy -52.625 -40.026 -29.538 -22.790 -18.106 -14.683 -12.113 -10.164 *B689 chalcopy -8.631 -7.396 -6.387 -5.552 -4.852 chalcopy 0.2424664E+02-0.2034898E+05-0.1996785E-02 0.1502603E+06-0.3924136E+01 chlrargy 143.32 1 1.00039 chlrargy -32.523 -24.309 -17.455 -13.035 -9.962 -7.714 -6.009 -4.678 *B674 chlrargy -3.619 -2.760 -2.056 -1.473 -0.986 chlrargy 0.6253397E+01-0.1206418E+05-0.1401917E-02-0.2294721E+05 0.9550402E+00 chlrt-Mn 708.97 6 18.000 2-10.00 5-18.00 6 2.00013 3.00021 5.00028 chlrt-Mn chlrt-Mn chlrt-Mn chltNoAl 554.22 5 18.00 2 6.00022 4.0021-12.00 5-16.00 6 chltNoAl chltNoAl chltNoAl chondrod 339.71 5 10.00 2 2.00021 5.00022-10.00 5-8.000 6 chondrod chondrod chondrod chromite 223.84 5 1.000 1 4.000 2-10.00 5 1.00010 2.00025 chromite -71.106 -57.888 -46.821 -39.652 -34.640 -30.947 -28.118 -25.886 BA77 chromite -24.083 -22.599 -21.358 -20.307 -19.406 chromite 0.8320367E+00-0.2003666E+05-0.2871868E-03 0.1873341E+05-0.1964037E+01 chrysoti 277.11 5 9.000 2-6.000 5-8.000 6 2.00021 3.00022 chrysoti -72.071 -53.837 -38.693 -28.988 -22.288 -17.418 -13.744 -10.890 *BE88 chrysoti -8.621 -6.785 -5.276 -4.019 -2.961 chrysoti 0.5586187E+02-0.2968325E+05-0.3335681E-03 0.1420922E+06-0.1207269E+02 cinnabar 232.65 3 -1.000 1 1.000 4 1.00041 cinnabar -7.923 -4.600 -1.867 -0.133 1.054 1.908 2.548 3.041 *B689 cinnabar 3.429 3.741 3.994 4.203 4.376 cinnabar 0.1675457E+02-0.5351115E+04-0.7700699E-04 0.3237706E+04-0.2725176E+01 cinn-met 232.65 3 -1.000 1 1.000 4 1.00041 cinn-met -7.543 -4.368 -1.758 -0.105 1.025 1.838 2.445 2.912 *B689 cinn-met 3.279 3.573 3.812 4.008 4.171 cinn-met 0.1687053E+02-0.5175761E+04-0.4683182E-04 0.7412200E+04-0.2878776E+01 claudeti 197.84 3 3.000 2-6.000 5 2.00019 claudeti 6.233 4.806 3.548 2.676 2.021 1.498 1.062 0.688 *B672 claudeti 0.358 0.062 -0.210 -0.461 -0.696 claudeti 0.1516667E+01 0.1913819E+04-0.1245175E-02-0.1943006E+04-0.5292083E+00 clinochl 555.80 6 18.000 2-10.00 5-18.00 6 2.00013 3.00021 5.00022 clinochl-165.691-124.604 -90.413 -68.455 -53.262 -42.193 -33.816 -27.289 *BE88 clinochl -22.086 -17.858 -14.370 -11.453 -8.986 clinochl 0.1183742E+03-0.6677336E+05-0.2680195E-03 0.3432811E+06-0.2581875E+02 clinoens 200.80 5 6.000 2-4.000 5-8.000 6 2.00021 2.00022 clinoens *BE88 stoch has been doubled clinoens clinoens clinoenP 100.39 5 3.000 2-2.000 5-4.000 6 1.00021 1.00022 clinoenP High P polymorph clinoenP clinoenP clinohum 621.16 5 18.000 2-18.00 5-16.00 6 9.00022 4.00021 clinohum clinohum clinohum cobalt 58.93 3 1.000 1-2.000 5 1.00026 cobalt -14.601 -11.394 -8.687 -6.917 -5.669 -4.747 -4.037 -3.474 *B672 cobalt -3.019 -2.646 -2.335 -2.075 -1.855 cobalt -0.4686953E+01-0.4434806E+04-0.6444352E-03-0.1403361E+05 0.2146038E+01 CoCl2(C) 129.84 1 1.00026 CoCl2(C) -28.457 -20.775 -14.374 -10.248 -7.379 -5.276 -3.672 -2.414 *B674 CoCl2(C) -1.402 -0.574 0.116 0.696 1.192 CoCl2(C) 0.1727958E+02-0.1180939E+05-0.1210075E-03 0.6711281E+04-0.2492317E+01 CoF2(C) 96.93 3 -2.000 5 2.000 6 1.00026 CoF2(C) -28.024 -20.408 -14.046 -9.939 -7.078 -4.980 -3.379 -2.122 *B674 CoF2(C) -1.112 -0.284 0.404 0.984 1.479 CoF2(C) 0.1718006E+02-0.1181947E+05-0.1637090E-03 0.2716629E+05-0.2351300E+01 CoF3(C) 115.93 4 -0.500 1-2.000 5 3.000 6 1.00026 CoF3(C) 4.188 6.325 8.067 9.155 9.885 10.400 10.776 11.058 *B674 CoF3(C) 11.273 11.440 11.571 11.674 11.755 CoF3(C) 0.2479975E+02-0.3799898E+04-0.4258577E-04 0.2480650E+05-0.3286910E+01 CoFe2O4 234.62 5 -1.000 1 4.000 2-6.000 5 2.00010 1.00026 CoFe2O4 -39.754 -29.125 -20.343 -14.752 -10.923 -8.168 -6.113 -4.523 *BA77 CoFe2O4 -3.261 -2.238 -1.397 -0.693 -0.099 CoFe2O4 0.6920405E+02-0.1984904E+05 0.2015621E-02 0.2698197E+06-0.1859777E+02 CoO(C) 74.93 3 1.000 2-2.000 5 1.00026 CoO(C) -12.083 -9.042 -6.531 -4.926 -3.818 -3.012 -2.402 -1.926 *B672 CoO(C) -1.546 -1.238 -0.983 -0.771 -0.592 CoO(C) 0.6289139E+01-0.4560010E+04-0.1310093E-03-0.2139591E+05-0.1130788E+01 CoS.89-C 87.47 4 0.110 1 0.890 4-2.000 5 1.00026 CoS.89-C -45.820 -35.818 -27.439 -22.006 -18.207 -15.405 -13.260 -11.567 *B689 CoS.89-C -10.201 -9.078 -8.141 -7.348 -6.672 CoS.89-C 0.4651368E+01-0.1490350E+05-0.5655066E-03-0.2271184E+04-0.1174750E+00 CoSO4(C) 154.99 5 -4.000 1 4.000 2 1.000 4-2.000 5 1.00026 CoSO4(C) 14.361 13.990 13.532 13.112 12.728 12.376 12.052 11.752 *B677 CoSO4(C) 11.465 11.199 10.951 10.719 10.502 CoSO4(C) 0.3860420E+02-0.1054570E+04-0.5501600E-04 0.5863413E+05-0.8627815E+01 CoSO4.1W 173.01 5 -4.000 1 5.000 2 1.000 4-2.000 5 1.00026 CoSO4.1W 8.928 11.006 12.550 13.346 13.715 13.814 13.732 13.521 *B677 CoSO4.1W 13.214 12.834 12.397 11.913 11.393 CoSO4.1W 0.8888943E+01-0.3205654E+04-0.8445671E-02-0.5807283E+04 0.5404988E+01 CoSO4.6W 263.08 5 -4.000 110.000 2 1.000 4-2.000 5 1.00026 CoSO4.6W 0.143 11.811 21.202 26.876 30.465 32.764 34.211 35.063 *B677 CoSO4.6W 35.484 35.581 35.430 35.083 34.580 CoSO4.6W 0.5626049E+02-0.1904119E+05-0.1576129E-01 0.1055989E+06 0.4549842E+01 CoSO4.7W 281.10 5 -4.000 111.000 2 1.000 4-2.000 5 1.00026 CoSO4.7W -1.517 12.056 23.020 29.675 33.899 36.613 38.319 39.319 *B677 CoSO4.7W 39.801 39.893 39.683 39.233 38.590 CoSO4.7W 0.3622663E+02-0.2052833E+05-0.2112415E-01 0.3429939E+05 0.1496143E+02 CoS2(C) 123.05 4 -1.000 1 2.000 4-2.000 5 1.00026 CoS2(C) -28.695 -21.589 -15.690 -11.906 -9.288 -7.379 -5.933 -4.805 *B689 CoS2(C) -3.906 -3.175 -2.572 -2.069 -1.645 CoS2(C) 0.1512277E+02-0.1098211E+05-0.3373086E-03 0.2116431E+03-0.2782615E+01 Co3O4(C) 240.80 4 -1.000 1 4.000 2-6.000 5 3.00026 Co3O4(C) -24.167 -16.293 -9.739 -5.535 -2.634 -0.529 1.055 2.280 *B672 Co3O4(C) 3.246 4.022 4.651 5.167 5.594 Co3O4(C) 0.2415257E+02-0.1248508E+05-0.1048975E-02 0.4930656E+05-0.2702167E+01 coesite 60.08 3 2.000 2-4.000 6 1.00021 coesite 13.262 9.796 6.842 4.893 3.506 2.466 1.656 1.007 *BE88 coesite 0.474 0.028 -0.350 -0.675 -0.957 coesite 0.8857639E+00 0.4993712E+04 0.1598380E-03-0.1371917E+05-0.1724011E+01 copper 63.55 3 0.500 1-1.000 5 1.00014 copper -27.845 -21.388 -15.973 -12.454 -9.987 -8.163 -6.762 -5.652 B672 copper -4.753 -4.011 -3.388 -2.860 -2.405 copper 0.3875141E+01-0.9541923E+04-0.2307984E-03-0.6134091E+04 0.1703386E+00 cordieri 584.96 6 18.000 2-4.000 5-32.00 6 4.00013 5.00021 2.00022 cordieri -51.297 -43.815 -37.889 -34.285 -31.925 -30.301 -29.146 -28.302 *BE88 cordieri -27.675 -27.201 -26.840 -26.562 -26.346 cordieri 0.3579756E+02-0.1335260E+05 0.7235997E-03-0.2151492E+05-0.1708777E+02 cordie-H 602.98 6 19.000 2-4.000 5-32.00 6 4.00013 5.00021 2.00022 cordie-H cordie-H cordie-H cordi-Fe 648.04 6 18.000 2-4.000 5-32.00 6 4.00013 5.00021 2.00010 cordi-Fe cordi-Fe cordi-Fe cordi-Mn 646.22 6 18.000 2-4.000 5-32.00 6 4.00013 5.00021 2.00028 cordi-Mn cordi-Mn cordi-Mn coruMgSi 100.39 5 3.000 2-2.000 5-4.000 6 1.00021 1.00022 coruMgSi coruMgSi coruMgSi corundum 101.96 3 3.000 2-6.000 6 2.00013 corundum -28.090 -22.195 -17.312 -14.187 -12.029 -10.457 -9.267 -8.339 BE88 corundum -7.597 -6.992 -6.491 -6.069 -5.711 corundum 0.1418815E+02-0.9478540E+04 0.2419049E-03 0.2165852E+05-0.4365683E+01 CTS/2 109.06 6 3.000 2-1.000 5-5.000 6 1.00013 0.50021 0.50023 CTS/2 -22.339 -17.842 -14.130 -11.764 -10.137 -8.958 -8.070 -7.381 *BE88 Does not exist in Berman or H&P. Divide CaPxTsch logK's by two if we really need it later CTS/2 -6.833 -6.389 -6.023 -5.717 -5.458 CTS/2 0.1215443E+02-0.7363909E+04 0.2024357E-03 0.2110534E+05-0.4078645E+01 Cr(C) 52.00 3 2.000 1-4.000 5 1.00025 Cr(C) 2.485 0.478 -1.166 -2.201 -2.906 -3.413 -3.794 -4.089 B672 Cr(C) -4.324 -4.517 -4.677 -4.814 -4.932 Cr(C) -0.1978988E+02 0.3700505E+04-0.6571791E-03-0.3114277E+05 0.4206879E+01 CrBr3(C) 291.71 4 0.500 1-4.000 5 3.000 7 1.00025 CrBr3(C) -40.403 -31.055 -23.236 -18.169 -14.625 -12.011 -10.006 -8.422 *B674 CrBr3(C) -7.141 -6.085 -5.200 -4.450 -3.807 CrBr3(C) 0.7785687E+01-0.1386782E+05-0.2615773E-03-0.1809961E+05-0.5634200E+00 CrCl2(C) 122.90 3 1.000 1-2.000 5 1.00025 CrCl2(C) -26.534 -21.143 -16.623 -13.688 -11.632 -10.114 -8.950 -8.031 *B674 CrCl2(C) -7.288 -6.678 -6.168 -5.737 -5.369 CrCl2(C)-0.1598325E+01-0.7874646E+04-0.4356111E-03-0.1149171E+05 0.7012446E+00 CrCl3(C) 158.36 3 0.500 1-1.000 5 1.00025 CrCl3(C) -32.633 -24.829 -18.302 -14.077 -11.128 -8.957 -7.298 -5.991 *B674 CrCl3(C) -4.939 -4.075 -3.355 -2.748 -2.230 CrCl3(C) 0.8504612E+01-0.1172401E+05-0.4075513E-03 0.5323522E+03-0.6868412E+00 CrF2(C) 89.99 4 1.000 1-4.000 5 2.000 6 1.00025 CrF2(C) -30.073 -23.940 -18.784 -15.427 -13.069 -11.325 -9.986 -8.926 *B674 CrF2(C) -8.070 -7.365 -6.776 -6.278 -5.853 CrF2(C) -0.3995058E+01-0.8873539E+04-0.6356678E-03-0.1019746E+05 0.1611819E+01 CrF3(C) 108.99 4 0.500 1-4.000 5 3.000 6 1.00025 CrF3(C) -46.093 -35.677 -26.930 -21.244 -17.258 -14.312 -12.051 -10.262 *B674 CrF3(C) -8.814 -7.619 -6.619 -5.770 -5.042 CrF3(C) 0.6768600E+01-0.1564539E+05-0.3758123E-03 0.2042971E+05-0.2038693E+00 CrS(C) 84.06 4 1.000 1 1.000 4-4.000 5 1.00025 CrS(C) -15.764 -13.758 -12.076 -10.993 -10.235 -9.674 -9.240 -8.894 *B689 CrS(C) -8.613 -8.379 -8.181 -8.013 -7.868 CrS(C) -0.5259619E+01-0.2908589E+04 0.9419441E-04-0.1612234E+05-0.2410477E+00 Cr2S3(C) 200.17 4 1.000 1 3.000 4-8.000 5 2.00025 Cr2S3(C) -37.473 -31.717 -26.909 -23.790 -21.604 -19.988 -18.749 -17.770 *B689 Cr2S3(C) -16.980 -16.332 -15.792 -15.338 -14.952 Cr2S3(C)-0.1907285E+02-0.7614967E+04-0.1013317E-02-0.8987072E+05 0.3416417E+01 Cr2.3SO4 392.16 5 -11.00 112.000 2 3.000 4-8.000 5 2.00025 Cr2.3SO4 44.582 39.868 35.511 32.342 29.864 27.834 26.114 24.621 *B677 Cr2.3SO4 23.300 22.114 21.037 20.049 19.135 Cr2.3SO4 0.8484660E+02 0.3070726E+04-0.1157420E-02 0.1284741E+06-0.2087912E+02 cristo-a 60.08 3 2.000 2-4.000 6 1.00021 cristo-a 13.029 9.569 6.619 4.667 3.277 2.235 1.423 0.773 *BE88 cristo-a 0.239 -0.207 -0.585 -0.910 -1.191 cristo-a 0.1554513E+01 0.4956069E+04 0.2464818E-03-0.1527510E+05-0.2040884E+01 cristo-b 60.08 3 2.000 2-4.000 6 1.00021 cristo-b 13.132 9.624 6.634 4.660 3.256 2.203 1.383 0.725 *BE88 cristo-b 0.186 -0.264 -0.646 -0.974 -1.258 cristo-b 0.1355068E+01 0.5002903E+04 0.2316747E-03-0.1026845E+05-0.2003006E+01 Cs(C) 132.91 3 0.500 1-1.000 5 1.00034 Cs(C) 28.473 23.253 18.829 15.910 13.821 12.238 10.987 9.964 *B672 Cs(C) 9.105 8.368 7.723 7.150 6.634 Cs(C) -0.2587350E+00 0.7755957E+04-0.1727033E-02-0.2339796E+04 0.1317224E+01 CsBr(C) 212.81 3 -1.000 5 1.000 7 1.00034 CsBr(C) -30.736 -22.953 -16.452 -12.252 -9.326 -7.179 -5.543 -4.261 *B674 CsBr(C) -3.233 -2.394 -1.701 -1.121 -0.630 CsBr(C) 0.8174174E+01-0.1154850E+05-0.8418693E-03-0.1287557E+05 0.8871213E-01 CsCl(C) 168.36 1 1.00034 CsCl(C) -27.458 -20.333 -14.390 -10.556 -7.886 -5.939 -4.485 -3.347 *B674 CsCl(C) -2.435 -1.690 -1.072 -0.552 -0.110 CsCl(C) 0.3235484E+02-0.1269425E+05 0.6497944E-03 0.1788626E+06-0.7856109E+01 CsF(C) 151.90 3 -1.000 5 1.000 6 1.00034 CsF(C) -15.368 -10.724 -6.867 -4.401 -2.711 -1.498 -0.601 0.075 *B674 CsF(C) 0.592 0.988 1.291 1.522 1.694 CsF(C) -0.5697626E+00-0.6513542E+04-0.2526525E-02-0.2997763E+05 0.3289162E+01 Cs2O(C) 281.81 3 1.000 2-2.000 5 2.00034 Cs2O(C) 42.968 36.191 30.424 26.610 23.884 21.828 20.212 18.903 *B672 Cs2O(C) 17.815 16.894 16.099 15.405 14.790 Cs2O(C) 0.1521275E+02 0.9740896E+04-0.7686753E-03-0.7036043E+04-0.1862047E+01 Cs2SO4-C 361.87 5 -4.000 1 1.000 4-2.000 5 2.00034 4.000 2 Cs2SO4-C -8.813 -3.297 1.153 3.892 5.691 6.920 7.776 8.369 *B677 Cs2SO4-C 8.786 9.089 9.304 9.450 9.541 Cs2SO4-C 0.6304098E+02-0.1162351E+05-0.3634221E-03 0.2250037E+06-0.1426125E+02 CuBr(C) 143.45 3 -1.000 5 1.000 7 1.00014 CuBr(C) -36.297 -27.420 -20.009 -15.237 -11.946 -9.593 -7.810 -6.405 *B674 CuBr(C) -5.272 -4.341 -3.563 -2.904 -2.340 CuBr(C) 0.7307355E+02-0.1845736E+05 0.3520901E-02 0.4264613E+06-0.2154472E+02 CuBr2(C) 223.35 4 -0.500 1-1.000 5 2.000 7 1.00014 CuBr2(C) -30.434 -21.690 -14.408 -9.718 -6.457 -4.066 -2.242 -0.810 *B674 CuBr2(C) 0.342 1.287 2.074 2.739 3.306 CuBr2(C) 0.2243026E+02-0.1344192E+05-0.5178044E-05 0.2325957E+04-0.3154072E+01 CuCl(C) 99.00 1 1.00014 CuCl(C) -35.446 -26.774 -19.533 -14.863 -11.623 -9.304 -7.554 -6.189 *B674 CuCl(C) -5.100 -4.214 -3.481 -2.868 -2.349 CuCl(C) 0.5308441E+02-0.1683729E+05 0.1624087E-02 0.3393270E+06-0.1469308E+02 CuCl2(C) 134.45 3 -0.500 1 1.000 5 1.00014 CuCl2(C) -24.910 -17.302 -10.973 -6.903 -4.081 -2.024 -0.462 0.761 *B674 CuCl2(C) 1.742 2.544 3.211 3.772 4.249 CuCl2(C) 0.2953394E+02-0.1242271E+05 0.3661724E-03 0.6388377E+05-0.5498427E+01 CuF(C) 82.54 3 -1.000 5 1.000 6 1.00014 CuF(C) -12.610 -8.425 -4.956 -2.739 -1.212 -0.104 0.730 1.378 *B674 CuF(C) 1.891 2.306 2.645 2.927 3.163 CuF(C) 0.1658679E+02-0.6746320E+04-0.1243398E-03 0.2129425E+05-0.2736807E+01 CuF2(C) 101.54 4 -0.500 1-1.000 5 2.000 6 1.00014 CuF2(C) -17.680 -11.479 -6.325 -3.020 -0.738 0.921 2.172 3.143 *B674 CuF2(C) 3.913 4.534 5.042 5.462 5.812 CuF2(C) 0.2139614E+02-0.9790459E+04-0.5311656E-03 0.2655466E+05-0.2578016E+01 CuFeS2-L 183.51 5 -0.500 1 2.000 4-3.000 5 1.00010 1.00014 CuFeS2-L -44.719 -34.164 -25.481 -19.961 -16.171 -13.425 -11.355 -9.748 *B689 CuFeS2-L -8.469 -7.431 -6.575 -5.860 -5.255 CuFeS2-L 0.3274040E+02-0.1670624E+05 0.3982618E-03-0.2472231E+05-0.8594701E+01 covellit 95.61 4 -0.500 1 1.000 4-1.000 5 1.00014 covellit -31.835 -24.166 -17.778 -13.662 -10.799 -8.701 -7.103 -5.849 *B689 covellit -4.842 -4.019 -3.335 -2.761 -2.272 covellit 0.1148256E+02-0.1160034E+05-0.3388208E-03-0.9748065E+04-0.1697012E+01 CuSO4(C) 159.60 5 -4.500 1 4.000 2 1.000 4-1.000 5 1.00014 CuSO4(C) 22.215 20.974 19.768 18.848 18.100 17.469 16.922 16.439 *B677 CuSO4(C) 16.006 15.613 15.253 14.921 14.613 CuSO4(C) 0.4476569E+02 0.9245889E+02-0.9375411E-04 0.6042101E+05-0.9502184E+01 CuSO4.1W 177.62 5 -4.500 1 5.000 2 1.000 4-1.000 5 1.00014 CuSO4.1W 17.394 18.713 19.615 19.990 20.061 19.939 19.685 19.336 *B677 CuSO4.1W 18.916 18.443 17.926 17.375 16.795 CuSO4.1W 0.1404295E+02-0.2094285E+04-0.8439106E-02-0.7143177E+04 0.5242342E+01 CuSO4.3W 213.65 5 -4.500 1 7.000 2 1.000 4-1.000 5 1.00014 CuSO4.3W 13.055 18.408 22.657 25.150 26.646 27.517 27.969 28.123 *B677 CuSO4.3W 28.059 27.829 27.470 27.006 26.459 CuSO4.3W 0.1897473E+02-0.7905872E+04-0.1237466E-01 0.1091332E+04 0.9809887E+01 CuSO4.5W 249.68 5 -4.500 1 9.000 2 1.000 4-1.000 5 1.00014 CuSO4.5W 9.055 18.329 25.813 30.335 33.178 34.972 36.062 36.655 *B677 CuSO4.5W 36.884 36.835 36.570 36.134 35.558 CuSO4.5W 0.2234949E+02-0.1351018E+05-0.1700482E-01 0.4171518E+04 0.1496985E+02 Cu2O(C) 143.09 3 1.000 2-2.000 5 2.00014 Cu2O(C) -41.559 -31.160 -22.469 -16.848 -12.927 -10.043 -7.839 -6.105 *B672 Cu2O(C) -4.709 -3.564 -2.610 -1.806 -1.121 Cu2O(C) 0.1362470E+02-0.1560936E+05-0.5455968E-03-0.4938918E+04-0.1055369E+01 Cu2OSO4 239.15 5 -5.000 1 5.000 2 1.000 4-2.000 5 2.00014 Cu2OSO4 12.895 14.707 16.024 16.712 17.071 17.242 17.301 17.289 *B677 Cu2OSO4 17.230 17.141 17.031 16.909 16.777 Cu2OSO4 0.5800953E+02-0.4839107E+04 0.1357209E-05 0.6927558E+05-0.1198814E+02 Cu2S(l) 159.15 3 1.000 4-2.000 5 2.00014 Cu2S(l) -62.587 -48.234 -36.278 -28.568 -23.197 -19.252 -16.236 -13.861 *B689 Cu2S(l) -11.945 -10.369 -9.052 -7.936 -6.979 Cu2S(l) 0.2131655E+02-0.2176964E+05 0.1051671E-03-0.2207114E+05-0.4312446E+01 Cu2SO4-C 223.15 5 -4.000 1 4.000 2 1.000 4-2.000 5 2.00014 Cu2SO4-C -4.262 0.256 3.869 6.070 7.499 8.464 9.130 9.591 *B677 Cu2SO4-C 9.908 10.119 10.250 10.321 10.344 Cu2SO4-C 0.3460624E+02-0.7657902E+04-0.2005311E-02-0.3256227E+03-0.5084772E+01 cummingt 780.87 5 -14.00 5-32.00 6 7.00022 8.0002124.000 2 cummingt cummingt cummingt cuprite 143.08 3 1.000 2-2.000 5 2.00014 cuprite cuprite cuprite cymriteK 296.34 6 -1.000 5-15.00 6 1.000 9 1.00013 3.00021 9.0002 cymriteK cymriteK cymriteK daphnite 713.51 6 18.000 2-10.00 5-18.00 6 2.00013 3.00021 5.00010 daphnite daphnite daphnite deerite 2152.33 6 -3.000 1-36.00 5-48.00 618.0001012.00021 50.00 2 deerite deerite deerite diamond 12.01 3 2.000 1 1.000 3-2.000 2 diamond -10.494 -7.361 -4.674 -2.885 -1.602 -0.633 0.124 0.734 *B672 diamond 1.235 1.654 2.009 2.314 2.577 diamond -0.6599358E+01-0.4058143E+04-0.6190826E-03-0.1189967E+05 0.4055436E+01 diaspore 59.99 3 2.000 2-3.000 6 1.00013 diaspore -16.749 -12.369 -8.721 -6.378 -4.756 -3.575 -2.682 -1.986 *BE88 diaspore -1.433 -0.984 -0.614 -0.305 -0.045 diaspore 0.1326047E+02-0.7132209E+04-0.9588644E-04 0.4051592E+05-0.2632920E+01 diopside 216.55 6 6.000 2-4.000 5-8.000 6 2.00021 1.00022 1.00023 1.0 1 diopside -37.791 -30.406 -24.320 -20.448 -17.791 -15.870 -14.427 -13.309 *BE88 diopside -12.424 -11.708 -11.119 -10.629 -10.216 diopside 0.2007478E+02-0.1215468E+05 0.3077165E-03 0.3469305E+05-0.7104844E+01 dolo-dis 184.41 5 2.000 2 2.000 3 1.00022 1.00023-4.000 5 dolo-dis dolo-dis dolo-dis dolo-ord 184.41 5 2.000 2 2.000 3 1.00022 1.00023-4.000 5 dolo-ord dolo-ord dolo-ord eastonit 418.85 7 -5.000 5-17.00 6 1.000 9 2.00022 3.00013 2.0002112.000 2 eastonit eastonit eastonit eskolait 151.99 4 1.000 1 3.000 2-8.000 5 2.00025 eskolait -60.410 -49.874 -41.066 -35.355 -31.356 -28.400 -26.128 -24.329 B672 eskolait -22.871 -21.665 -20.653 -19.792 -19.051 eskolait-0.9410704E+01-0.1525449E+05-0.2861944E-03-0.5854754E+05 0.3671426E+00 fayalite 203.78 5 4.000 2-4.000 5-4.000 6 2.00010 1.00021 2.0 3 fayalite -11.343 -8.661 -6.515 -5.199 -4.334 -3.738 -3.314 -3.005 *BE88 fayalite -2.776 -2.606 -2.478 -2.381 -2.309 fayalite 0.1931856E+02-0.4955444E+04 0.4909758E-04 0.2441467E+05-0.5791192E+01 iron 55.85 3 1.000 1-2.000 5 1.00010 iron -6.134 -4.593 -3.287 -2.431 -1.830 -1.390 -1.057 -0.802 *B672 iron -0.604 -0.448 -0.323 -0.217 -0.128 iron 0.5549236E+00-0.2503065E+04-0.5591118E-03 0.4047546E+05 0.5733706E+00 FeAl2O4 173.81 5 4.000 2-2.000 5-6.000 6 1.00010 2.00013 FeAl2O4 -42.835 -33.378 -25.542 -20.521 -17.048 -14.513 -12.590 -11.086 BA77 FeAl2O4 -9.883 -8.900 -8.085 -7.401 -6.818 FeAl2O4 0.1877532E+02-0.1468063E+05 0.7259890E-04-0.9509178E+04-0.4965133E+01 FeBr2(C) 215.66 3 -2.000 5 2.000 7 1.00010 FeBr2(C) -28.996 -21.284 -14.862 -10.727 -7.855 -5.757 -4.160 -2.911 *B674 FeBr2(C) -1.910 -1.093 -0.418 0.148 0.628 FeBr2(C) 0.1669991E+02-0.1187571E+05-0.3422151E-03 0.9175980E+04-0.2370542E+01 FeCl2(C) 126.75 1 1.00010 FeCl2(C) -25.681 -18.640 -12.776 -8.999 -6.374 -4.451 -2.987 -1.838 *B674 FeCl2(C) -0.916 -0.162 0.464 0.991 1.439 FeCl2(C) 0.1571995E+02-0.1077489E+05-0.2031778E-03 0.5600640E+03-0.2104532E+01 FeCl3(C) 162.21 3 -0.500 1 1.000 5 1.00010 FeCl3(C) -14.817 -9.006 -4.200 -1.142 0.949 2.449 3.560 4.403 *B674 FeCl3(C) 5.053 5.560 5.956 6.267 6.510 FeCl3(C) 0.1586455E+02-0.8829788E+04-0.1884794E-02-0.4410393E+04-0.1837751E+00 FeF2(C) 93.84 3 -2.000 5 2.000 6 1.00010 FeF2(C) -25.827 -18.698 -12.742 -8.894 -6.212 -4.242 -2.739 -1.557 *B674 FeF2(C) -0.606 0.174 0.823 1.370 1.836 FeF2(C) 0.1466499E+02-0.1090970E+05-0.2304017E-03 0.1270847E+05-0.1606409E+01 FeF3(C) 112.84 4 -0.500 1-2.000 5 3.000 6 1.00010 FeF3(C) -31.298 -22.061 -14.358 -9.391 -5.935 -3.399 -1.464 0.058 *B674 FeF3(C) 1.283 2.289 3.128 3.838 4.446 FeF3(C) 0.2632146E+02-0.1440959E+05 0.1597278E-03 0.2685177E+05-0.3895494E+01 FeO(C) 71.85 3 1.000 2-2.000 5 1.00010 FeO(C) -10.125 -7.549 -5.426 -4.077 -3.152 -2.484 -1.982 -1.595 *B672 FeO(C) -1.289 -1.043 -0.843 -0.678 -0.540 FeO(C) 0.7862808E+01-0.4070582E+04-0.1099059E-03-0.2213146E+04-0.1728648E+01 FeWO4(C) 303.69 3 -2.000 5 1.00010 1.00018 1.0 8 FeWO4(C) -49.818 -38.306 -28.685 -22.451 -18.087 -14.865 -12.392 -10.436 BA73 FeWO4(C) -8.852 -7.546 -6.453 -5.526 -4.731 FeWO4(C) 0.3671055E+01-0.1650908E+05-0.6262499E-03-0.7731066E+05 0.1187739E+01 ferroact 970.08 6 24.000 2-14.00 5-32.00 6 8.00021 5.00010 2.00023 ferroact ferroact ferroact ferrosil 263.86 5 6.000 2-4.000 5-8.000 6 2.00010 2.00021 1.0 2 ferrosil stoch has been doubled ferrosil ferrosil FeS(l) 87.91 3 1.000 4-2.000 5 1.00010 FeS(l) -13.066 -10.044 -7.572 -6.009 -4.942 -4.172 -3.594 -3.147 *B689 FeS(l) -2.793 -2.506 -2.270 -2.074 -1.908 FeS(l) 0.1058722E+02-0.4807569E+04 0.1873920E-03-0.1457881E+05-0.2998840E+01 FeSO4(C) 151.90 5 -4.000 1 4.000 2 1.000 4-2.000 5 1.00010 FeSO4(C) 14.803 14.315 13.752 13.256 12.811 12.409 12.045 11.712 *B677 FeSO4(C) 11.407 11.127 10.867 10.627 10.404 FeSO4(C) 0.4712600E+02-0.1479146E+04 0.6431240E-03 0.9940455E+05-0.1158725E+02 FeSO4.1W 169.92 5 -4.000 1 5.000 2 1.000 4-2.000 5 1.00010 FeSO4.1W 10.422 12.398 13.859 14.604 14.939 15.016 14.917 14.694 *B677 FeSO4.1W 14.378 13.992 13.550 13.063 12.540 FeSO4.1W 0.9073490E+01-0.2996049E+04-0.8449507E-02-0.9247592E+04 0.5666183E+01 FeSO4.4W 223.97 5 -4.000 1 8.000 2 1.000 4-2.000 5 1.00010 FeSO4.4W 5.105 12.735 18.814 22.429 24.659 26.031 26.831 27.232 *B677 FeSO4.4W 27.340 27.228 26.946 26.529 26.004 FeSO4.4W 0.2924092E+02-0.1169238E+05-0.1338789E-01-0.1751124E+03 0.7708464E+01 FeSO4.7W 278.01 5 -4.000 111.000 2 1.000 4-2.000 5 1.00010 FeSO4.7W 0.529 13.657 24.227 30.616 34.657 37.245 38.872 39.827 *B677 FeSO4.7W 40.294 40.396 40.216 39.815 39.237 FeSO4.7W 0.6070216E+02-0.2127711E+05-0.1811665E-01 0.1131922E+06 0.6190833E+01 Fe2.3SO4 399.87 5 -13.00 112.000 2 3.000 4-4.000 5 2.00010 Fe2.3SO4 90.909 80.355 71.062 64.652 59.873 56.117 53.037 50.451 *B677 Fe2.3SO4 48.244 46.333 44.660 43.180 41.861 Fe2.3SO4 0.1623224E+03 0.6881738E+04 0.2993424E-02 0.5324005E+06-0.4096791E+02 fluorite 78.08 3 -2.000 5 2.000 6 1.00023 fluorite -59.142 -45.217 -33.538 -25.956 -20.647 -16.731 -13.732 -11.368 *B674 fluorite -9.463 -7.900 -6.599 -5.503 -4.571 fluorite 0.3556353E+01-0.2030723E+05-0.1497005E-02-0.2590522E+05 0.2485492E+01 forsteri 140.69 5 4.000 2-4.000 5-4.000 6 1.00021 2.00022 2.0 3 forsteri -44.355 -34.892 -27.013 -21.939 -18.415 -15.835 -13.871 -12.332 *BE88 forsteri -11.098 -10.088 -9.249 -8.543 -7.941 forsteri 0.1408191E+02-0.1471359E+05-0.1057536E-03 0.2046693E+05-0.3752689E+01 Ga(C) 69.72 3 1.500 1-3.000 5 1.00031 Ga(C) 22.898 17.458 12.903 9.952 7.887 6.365 5.196 4.272 *B672 Ga(C) 3.523 2.903 2.383 1.939 1.556 Ga(C) -0.9636082E+01 0.8437757E+04-0.2325354E-03-0.2133937E+05 0.1835998E+01 GaF3(C) 126.72 3 -3.000 5 3.000 6 1.00031 GaF3(C) -25.187 -18.150 -12.277 -8.487 -5.850 -3.920 -2.453 -1.307 *B674 GaF3(C) -0.393 0.349 0.960 1.468 1.893 GaF3(C) 0.8744403E+01-0.1037714E+05-0.1056884E-02-0.1631846E+05 0.5546482E+00 GaS(C) 101.78 4 0.500 1 1.000 4-3.000 5 1.00031 GaS(C) -7.104 -5.921 -4.950 -4.336 -3.918 -3.620 -3.401 -3.236 *B689 GaS(C) -3.110 -3.013 -2.938 -2.881 -2.838 GaS(C) -0.1708057E+01-0.1689543E+04-0.4829455E-03-0.1416178E+05 0.2320217E+00 Ga2O3(C) 187.44 3 3.000 2-6.000 5 2.00031 Ga2O3(C) -8.972 -7.079 -5.538 -4.577 -3.933 -3.479 -3.149 -2.902 B672 Ga2O3(C) -2.714 -2.569 -2.456 -2.369 -2.300 Ga2O3(C) 0.8577416E+01-0.3302519E+04-0.1187493E-03 0.1565425E+05-0.2672720E+01 galena 239.26 3 1.000 4-2.000 5 1.00016 galena -12.436 -9.350 -6.799 -5.170 -4.046 -3.228 -2.609 -2.128 *B689 galena -1.744 -1.432 -1.175 -0.961 -0.780 galena 0.7065275E+01-0.4715521E+04-0.9856454E-04-0.1306009E+05-0.1418146E+01 geikieli 120.18 5 3.000 2-2.000 5-4.000 6 1.00022 1.00024 geikieli geikieli geikieli gedrite 784.00 6 -10.00 5-36.00 6 5.00022 4.00013 6.00021 24.00 2 gedrite gedrite gedrite glaucoph 783.56 7 -8.000 5-38.00 6 2.000 8 3.00022 2.00013 8.0002124.000 2 glaucoph glaucoph glaucoph glauc-Fe 878.17 7 -8.000 5-38.00 6 2.000 8 3.00010 2.00013 8.0002124.000 2 glauc-Fe glauc-Fe glauc-Fe goethite 88.85 4 2.000 2-2.000 5-0.500 1 1.00010 goethite goethite goethite graphite 12.01 3 2.000 1 1.000 3-2.000 2 graphite -11.002 -7.805 -5.070 -3.254 -1.953 -0.972 -0.204 0.414 B672 graphite 0.923 1.350 1.714 2.026 2.298 graphite-0.4598606E+01-0.4258957E+04-0.3922641E-03-0.8944545E+04 0.3272990E+01 grossula 450.45 6 12.000 2-6.000 5-18.00 6 2.00013 3.00021 3.00023 grossula -89.847 -71.546 -56.416 -46.755 -40.097 -35.261 -31.608 -28.763 *BE88 grossula -26.494 -24.648 -23.121 -21.839 -20.750 grossula 0.4757174E+02-0.2976781E+05 0.9925779E-03 0.7794382E+05-0.1565985E+02 greenali 371.73 5 -6.000 5-8.000 6 3.00010 2.00021 9.000 2 greenali greenali greenali gypsum 172.17 5 -4.000 1 6.000 2 1.000 4-2.000 5 1.00023 gypsum -18.174 -8.958 -1.430 3.263 6.381 8.534 10.051 11.127 *HEL gypsum 11.886 12.407 12.746 12.943 13.026 gypsum 0.2730292E+02-0.1414806E+05-0.6662185E-02-0.4896899E+04 0.1623518E+01 grunerit 1001.62 5 -14.00 5-32.00 6 7.00010 8.0002124.000 2 grunerit grunerit grunerit H2O(l) 18.01 1 1.000 2 H2O(l) -1.507 -0.008 1.145 1.818 2.237 2.509 2.690 2.811 *B672 H2O(l) 2.893 2.946 2.980 3.000 3.009 H2O(l) 0.2248878E+02-0.3026498E+04 0.3239667E-03 0.3741010E+04-0.5651173E+01 H2SO4(l) 98.07 3 -4.000 1 4.000 2 1.000 4 H2SO4(l) 45.162 38.930 33.446 29.661 26.831 24.591 22.745 21.174 *B689 H2SO4(l) 19.803 18.583 17.480 16.470 15.534 H2SO4(l) 0.3146987E+02 0.8099183E+04-0.3836244E-02-0.2331242E+03-0.4981438E+01 H2SO4.1W 116.09 3 -4.000 1 5.000 2 1.000 4 H2SO4.1W 39.585 35.832 32.335 29.781 27.779 26.132 24.731 23.506 *B689 H2SO4.1W 22.416 21.429 20.524 19.686 18.904 H2SO4.1W 0.5768476E+02 0.3597865E+04-0.2418360E-02-0.3009787E+04-0.1188643E+02 H2SO4.2W 134.10 3 -4.000 1 6.000 2 1.000 4 H2SO4.2W 35.954 34.209 32.328 30.743 29.341 28.061 26.871 25.748 *B689 H2SO4.2W 24.676 23.646 22.650 21.683 20.739 H2SO4.2W 0.5610579E+02 0.6201506E+03-0.6615050E-02 0.7366526E+04-0.8220998E+01 H2SO4.3W 152.12 3 -4.000 1 7.000 2 1.000 4 H2SO4.3W 33.187 33.227 32.796 32.125 31.350 30.531 29.694 28.854 *B689 H2SO4.3W 28.017 27.186 26.364 25.551 24.748 H2SO4.3W 0.7367973E+02-0.2457277E+04-0.5469338E-02 0.3661031E+02-0.1237485E+02 H2SO4.4W 170.13 3 -4.000 1 8.000 2 1.000 4 H2SO4.4W 30.851 32.576 33.485 33.638 33.418 32.997 32.461 31.860 *B689 H2SO4.4W 31.219 30.557 29.882 29.202 28.522 H2SO4.4W 0.9797118E+02-0.5755896E+04-0.3883847E-02 0.5860356E+04-0.1888220E+02 H2SO4.6W 215.17 3 -4.000 110.500 2 1.000 4 H2SO4.6W 25.855 31.599 35.655 37.707 38.735 39.189 39.303 39.205 *B689 H2SO4.6W 38.972 38.652 38.275 37.862 37.426 H2SO4.6W 0.1643685E+03-0.1401432E+05 0.5179478E-04 0.2281779E+05-0.3709188E+02 halite 58.44 1 1.000 8 halite -32.852 -24.613 -17.730 -13.280 -10.177 -7.896 -6.155 -4.787 *B674 halite -3.686 -2.785 -2.036 -1.406 -0.870 halite 0.1001849E+02-0.1230759E+05-0.5709177E-03-0.9013275E+04-0.5330456E+00 hedenber 248.09 6 6.000 2-4.000 5-8.000 6 2.00021 1.00010 1.00023 1.0 1 hedenber -18.758 -15.261 -12.463 -10.750 -9.621 -8.840 -8.281 -7.871 *HEL hedenber -7.565 -7.333 -7.156 -7.021 -6.917 hedenber 0.2041341E+02-0.6317638E+04 0.1656175E-03 0.1427701E+05-0.7351936E+01 hematite 159.69 4 -1.000 1 3.000 2-4.000 5 2.00010 hematite -22.422 -15.867 -10.469 -7.050 -4.722 -3.058 -1.827 -0.898 *BE88 hematite -0.178 0.399 0.868 1.255 1.578 hematite 0.4919983E+02-0.1272934E+05 0.9176524E-03 0.2117766E+06-0.1276295E+02 heulandi 686.72 6 -2.000 5-34.00 6 1.00023 7.00021 2.00013 24.00 2 heulandi heulandi heulandi hercynit 173.81 5 4.000 2-2.000 5-6.000 6 2.00013 1.00010 hercynit hercynit hercynit HgBr2(C) 360.40 3 -1.000 1 2.000 7 1.00041 HgBr2(C) -14.556 -8.815 -4.061 -1.023 1.070 2.587 3.728 4.611 *B674 HgBr2(C) 5.308 5.869 6.325 6.701 7.013 HgBr2(C) 0.2109106E+02-0.8918279E+04-0.6037361E-03 0.1618773E+04-0.2252290E+01 HgCl2(C) 271.50 3 -1.000 1 2.000 5 1.00041 HgCl2(C) -3.505 0.026 2.929 4.759 5.982 6.821 7.399 7.791 *B674 HgCl2(C) 8.046 8.195 8.262 8.262 8.208 HgCl2(C)-0.1483146E+02-0.3692111E+04-0.5737245E-02-0.1037859E+06 0.1074533E+02 HgF2(C) 238.59 3 -1.000 1 2.000 6 1.00041 HgF2(C) 25.353 23.117 21.169 19.846 18.873 18.119 17.511 17.006 *B674 HgF2(C) 16.576 16.203 15.873 15.579 15.313 HgF2(C) 0.2210115E+02 0.2879539E+04-0.4562529E-03 0.3043171E+04-0.2547805E+01 Hg2Br2-C 560.99 3 -1.000 1 2.000 7 2.00041 Hg2Br2-C -24.239 -15.236 -7.767 -2.982 0.323 2.729 4.548 5.963 *B674 Hg2Br2-C 7.090 8.003 8.754 9.380 9.906 Hg2Br2-C 0.3353064E+02-0.1409882E+05-0.4010701E-03 0.1401341E+05-0.4251492E+01 Hg2Cl2-C 472.09 3 -1.000 1 2.000 5 2.00041 Hg2Cl2-C -14.671 -7.561 -1.673 2.088 4.678 6.555 7.969 9.063 *B674 Hg2Cl2-C 9.929 10.627 11.196 11.666 12.058 Hg2Cl2-C 0.3178512E+02-0.1119718E+05-0.5131087E-03 0.1218984E+05-0.3590640E+01 Hg2F2(C) 439.18 3 -1.000 1 2.000 6 2.00041 Hg2F2(C) 10.422 12.550 14.252 15.289 15.962 16.419 16.737 16.960 *B674 Hg2F2(C) 17.116 17.225 17.297 17.343 17.367 Hg2F2(C) 0.3222166E+02-0.3833376E+04-0.5371678E-03 0.1551965E+05-0.3619771E+01 hollandi 278.33 6 -1.000 5-15.00 6 1.000 9 1.00013 3.00021 8.000 2 hollandi hollandi hollandi huntite 353.05 5 4.000 2-8.000 5 4.000 3 1.00023 3.00022 huntite huntite huntite ilmenite 151.73 5 3.000 2-2.000 5-4.000 6 1.00010 1.00024 ilmenite -15.913 -12.718 -10.112 -8.475 -7.366 -6.575 -5.988 -5.540 *BE88 ilmenite -5.189 -4.909 -4.683 -4.497 -4.342 ilmenite 0.1368040E+02-0.5477183E+04 0.2646762E-03 0.1606608E+05-0.4640416E+01 Ir(C) 192.22 1 1.00042 Ir(C) -108.293 -84.874 -65.209 -52.417 -43.432 -36.777 -31.650 -27.580 B672 Ir(C) -24.272 -21.530 -19.220 -17.249 -15.547 Ir(C) 0.1000883E+02-0.3483562E+05-0.1686679E-04 0.1255015E+04-0.5947787E+00 IrBr3(C) 431.93 3 -1.500 1 3.000 7 1.00042 IrBr3(C)-104.248 -78.455 -56.891 -42.935 -33.184 -26.000 -20.496 -16.151 *B674 IrBr3(C) -12.639 -9.745 -7.322 -5.266 -3.501 IrBr3(C) 0.3873279E+02-0.3900689E+05-0.1369064E-03 0.3444653E+04-0.4909788E+01 IrS2(C) 256.34 3 -2.000 1 2.000 4 1.00042 IrS2(C) -118.099 -91.543 -69.317 -54.913 -44.833 -37.396 -31.689 -27.176 *B689 IrS2(C) -23.522 -20.505 -17.975 -15.825 -13.976 IrS2(C) 0.2476033E+02-0.3988950E+05-0.1297997E-03-0.6843490E+04-0.3618456E+01 Ir2S3(C) 480.62 3 -3.000 1 3.000 4 2.00042 Ir2S3(C)-232.811-180.948-137.516-109.348 -89.624 -75.058 -63.872 -55.018 *B689 Ir2S3(C) -47.843 -41.914 -36.936 -32.701 -29.054 Ir2S3(C) 0.4406737E+02-0.7781675E+05-0.6577000E-04-0.7595178E+04-0.6375076E+01 jadeite 202.14 6 6.000 2-1.000 5-11.00 6 1.000 8 1.00013 2.00021 1.0 1 jadeite -11.106 -9.225 -7.782 -6.941 -6.417 -6.078 -5.853 -5.703 *BE88 jadeite -5.604 -5.540 -5.499 -5.476 -5.466 jadeite 0.1876460E+02-0.3768112E+04 0.3733463E-03 0.1231372E+04-0.7014595E+01 K(C) 39.10 3 0.500 1-1.000 5 1.000 9 K(C) 24.100 19.799 16.149 13.731 11.991 10.662 9.601 8.723 *B672 K(C) 7.977 7.328 6.752 6.233 5.759 K(C) -0.2864807E+01 0.6498002E+04-0.2258137E-02-0.4096926E+04 0.2380261E+01 KAl.2SO4 258.20 7 -8.000 1 8.000 2 2.000 4-1.000 5-3.000 6 1.000 9 1.00013 KAl.2SO4 39.545 36.500 33.634 31.515 29.841 28.460 27.286 26.267 *RO78 KAl.2SO4 25.366 24.561 23.832 23.167 22.556 KAl.2SO4 0.7966912E+02 0.1225253E+04 0.1853665E-03 0.1083507E+06-0.1839118E+02 KBr(C) 119.00 3 -1.000 5 1.000 7 1.000 9 KBr(C) -33.184 -24.907 -17.995 -13.527 -10.412 -8.123 -6.374 -4.999 *B674 KBr(C) -3.892 -2.985 -2.229 -1.592 -1.050 KBr(C) 0.1138235E+02-0.1244558E+05-0.4044952E-03-0.5231066E+04-0.1068597E+01 KF(C) 58.10 3 -1.000 5 1.000 6 1.000 9 KF(C) -21.837 -15.792 -10.751 -7.500 -5.240 -3.585 -2.324 -1.337 *B674 KF(C) -0.545 0.101 0.637 1.087 1.468 KF(C) 0.1297633E+02-0.9270677E+04-0.3041821E-03 0.8681196E+04-0.1505898E+01 KO2(C) 71.10 4 -1.500 1 2.000 2-1.000 5 1.000 9 KO2(C) 62.038 50.679 41.010 34.616 30.052 26.615 23.924 21.754 *B672 KO2(C) 19.961 18.452 17.162 16.043 15.062 KO2(C) 0.2511027E+02 0.1578571E+05 0.1478067E-04 0.1941823E+05-0.6563372E+01 K2O(C) 94.20 3 1.000 2-2.000 5 2.000 9 K2O(C) 35.466 30.311 25.907 22.980 20.880 19.288 18.034 17.015 *B672 K2O(C) 16.167 15.447 14.826 14.283 13.802 K2O(C) 0.1917550E+02 0.7125177E+04-0.3444854E-03 0.6709419E+04-0.3063421E+01 K2O2(C) 110.20 4 -1.000 1 2.000 2-2.000 5 2.000 9 K2O2(C) 53.222 45.002 37.975 33.299 29.935 27.380 25.359 23.712 *B672 K2O2(C) 22.335 21.161 20.143 19.248 18.452 K2O2(C) 0.2632367E+02 0.1135231E+05-0.9758391E-03 0.1442644E+05-0.4465214E+01 K2S(C) 110.26 3 1.000 4-2.000 5 2.000 9 K2S(C) -14.677 -9.707 -5.577 -2.925 -1.095 0.227 1.210 1.955 *B689 K2S(C) 2.526 2.962 3.299 3.564 3.776 K2S(C) -0.3045172E+01-0.6663278E+04-0.2841184E-02-0.5119981E+05 0.4906629E+01 K2SO4(A) 174.25 5 -4.000 1 1.000 4-2.000 5 2.000 9 4.000 2 K2SO4(A) -16.944 -9.765 -3.914 -0.257 2.193 3.912 5.156 6.073 *JA82 K2SO4(A) 6.756 7.269 7.651 7.932 8.133 K2SO4(A) 0.3302116E+02-0.1151540E+05-0.2371675E-02-0.2874263E+04-0.4284982E+01 K2SO4(B) 174.25 5 -4.000 1 1.000 4-2.000 5 2.000 9 4.000 2 K2SO4(B) -15.459 -8.761 -3.318 0.079 2.359 3.966 5.138 6.012 *JA82 K2SO4(B) 6.677 7.187 7.580 7.885 8.119 K2SO4(B) 0.3787261E+02-0.1094751E+05-0.1077465E-02-0.9009449E+04-0.6543285E+01 K2S5(C) 238.50 4 -4.000 1 5.000 4-2.000 5 2.000 9 K2S5(C) -3.084 1.078 4.254 6.044 7.083 7.672 7.972 8.076 *B689 K2S5(C) 8.043 7.910 7.702 7.438 7.129 K2S5(C) 0.4084071E+02-0.7692504E+04-0.4829048E-02 0.9805322E+03-0.6747071E+01 kalsilit 158.17 6 -1.000 5-7.000 6 1.000 9 1.00013 1.00021 4.000 2 kalsilit kalsilit kalsilit kaolinit 258.16 4 9.000 2-14.00 6 2.00013 2.00021 kaolinit -11.257 -7.175 -3.937 -1.978 -0.708 0.152 0.754 1.182 *BE88 kaolinit 1.492 1.717 1.881 2.001 2.087 kaolinit 0.4440058E+02-0.8110696E+04 0.5008790E-03 0.6627159E+05-0.1186071E+02 kosmochl 227.15 7 0.500 1-5.000 5-8.000 6 1.00025 1.000 8 2.00021 6.000 2 kosmochl kosmochl kosmochl kyanite 162.05 4 5.000 2-10.00 6 2.00013 1.00021 kyanite -16.332 -13.517 -11.261 -9.873 -8.952 -8.311 -7.847 -7.503 *BE88 kyanite -7.241 -7.039 -6.881 -6.755 -6.654 kyanite 0.1547878E+02-0.5090110E+04 0.3426837E-03 0.1301850E+05-0.6056677E+01 laumonti 470.49 6 -2.000 5-22.00 6 1.00023 2.00013 4.00021 16.00 2 laumonti laumonti laumonti lrnt-brd 172.24 5 4.000 2 2.00023-4.000 5-4.000 6 1.00021 lrnt-brd lrnt-brd lrnt-brd lawsonit 314.24 6 10.000 2-2.000 5-14.00 6 2.00013 2.00021 1.00023 lawsonit -45.035 -33.328 -23.692 -17.586 -13.425 -10.448 -8.242 -6.564 *BE88 lawsonit -5.260 -4.232 -3.410 -2.746 -2.205 lawsonit 0.4810272E+02-0.1980418E+05-0.9148566E-03 0.1194897E+06-0.1122860E+02 leucite 218.25 6 -1.000 5-11.00 6 1.000 9 1.00013 2.00021 6.000 2 leucite leucite leucite Li(C) 6.94 3 0.500 1-1.000 5 1.00032 Li(C) 21.309 17.671 14.598 12.578 11.141 10.058 9.206 8.513 *B672 Li(C) 7.934 7.439 7.008 6.626 6.283 Li(C) -0.1654601E+01 0.5630255E+04-0.1226430E-02-0.1656532E+05 0.1871776E+01 LiBr(C) 86.85 3 -1.000 5 1.000 7 1.00032 LiBr(C) -29.230 -21.794 -15.589 -11.584 -8.795 -6.748 -5.188 -3.964 *B674 LiBr(C) -2.982 -2.180 -1.514 -0.955 -0.481 LiBr(C) 0.1011169E+02-0.1113188E+05-0.5600181E-03-0.1019527E+05-0.6965153E+00 LiCl(C) 42.39 1 1.00032 LiCl(C) -29.333 -21.844 -15.592 -11.554 -8.741 -6.677 -5.103 -3.868 *B674 LiCl(C) -2.876 -2.066 -1.394 -0.830 -0.351 LiCl(C) 0.1013405E+02-0.1122248E+05-0.5739333E-03-0.7024178E+04-0.6371188E+00 LiF(C) 25.94 3 -1.000 5 1.000 6 1.00032 LiF(C) -33.404 -24.979 -17.929 -13.365 -10.179 -7.834 -6.041 -4.629 *B674 LiF(C) -3.492 -2.559 -1.782 -1.126 -0.567 LiF(C) 0.1108326E+02-0.1268638E+05-0.4483190E-03 0.4958775E+04-0.7513169E+00 Li2O(C) 29.88 3 1.000 2-2.000 5 2.00032 Li2O(C) -15.665 -10.404 -6.027 -3.218 -1.276 0.137 1.205 2.035 *B672 Li2O(C) 2.694 3.227 3.664 4.026 4.329 Li2O(C) 0.1736774E+02-0.8305130E+04-0.4007630E-03 0.2400336E+05-0.2153130E+01 Li2O2(C) 45.88 4 -1.000 1 2.000 2-2.000 5 2.00032 Li2O2(C) 22.314 20.333 18.586 17.385 16.493 15.793 15.222 14.740 *B672 Li2O2(C) 14.324 13.957 13.629 13.330 13.056 Li2O2(C) 0.1641948E+02 0.2824059E+04-0.1000653E-02-0.2811460E+05-0.1197355E+01 Li2SO4-C 109.94 5 -4.000 1 1.000 4-2.000 5 2.00032 4.000 2 Li2SO4-C -22.791 -14.332 -7.394 -3.025 -0.070 2.025 3.509 4.482 *B677 Li2SO4-C 5.215 5.776 6.212 6.553 6.821 Li2SO4-C 0.1050743E+03-0.2053537E+05 0.9118183E-03 0.7053451E+06-0.2715031E+02 lime 56.08 3 1.000 2-2.000 5 1.00023 lime -15.105 -11.370 -8.256 -6.250 -4.856 -3.836 -3.059 -2.451 *BE88 lime -1.962 -1.563 -1.231 -0.951 -0.713 lime 0.8823771E+01-0.5906444E+04 0.8575864E-05 0.1890897E+05-0.1751382E+01 litharge 223.20 3 1.000 2-2.000 5 1.00016 litharge 5.579 5.129 4.710 4.406 4.167 3.972 3.805 3.660 *B672 litharge 3.531 3.414 3.306 3.207 3.114 litharge 0.7281582E+01 0.4640876E+03-0.3147830E-03-0.2427534E+04-0.1268149E+01 lizardit 277.11 5 -6.000 5-8.000 6 3.00022 2.00021 9.000 2 lizardit lizardit lizardit manganos 70.94 3 1.000 2-2.000 5 1.00028 manganos -8.187 -6.075 -4.317 -3.185 -2.400 -1.826 -1.390 -1.050 *B672 manganos -0.778 -0.557 -0.374 -0.222 -0.094 manganos 0.3683085E+01-0.3208356E+04-0.1744982E-03-0.8327770E+03-0.4234477E+00 magnesit 84.31 4 1.000 2 1.000 3-2.000 5 1.00022 magnesit -34.966 -25.421 -17.429 -12.256 -8.649 -5.999 -3.978 -2.389 *BE88 magnesit -1.112 -0.065 0.806 1.540 2.167 magnesit 0.2185939E+02-0.1499524E+05-0.2237944E-03 0.6511493E+05-0.2908385E+01 magnst-H 467.67 4 10.000 2-10.00 5 5.00022 4.000 3 magnst-H magnst-H magnst-H magnetit 231.54 4 -1.000 1 4.000 2-6.000 5 3.00010 1.0 5 magnetit -35.910 -26.079 -17.973 -12.832 -9.333 -6.843 -5.026 -3.648 *BE88 magnetit -2.561 -1.689 -0.976 -0.387 0.107 magnetit 0.9773696E+02-0.2135716E+05 0.3229547E-02 0.5208977E+06-0.2781766E+02 majorite 401.55 5 12.00 2-8.000 5-16.0006 4.00022 4.00021 majorite majorite majorite malachit 221.12 5 -1.000 1 3.000 2 2.00014 1.000 3-2.000 5 malachit malachit malachit marcasit 119.97 4 -1.000 1 2.000 4-2.000 5 1.00010 marcasit -21.770 -15.823 -10.888 -7.722 -5.530 -3.929 -2.714 -1.764 *B689 marcasit -1.003 -0.382 0.133 0.566 0.934 marcasit 0.1680139E+02-0.9277891E+04 0.1910359E-04 0.3402214E+04-0.3029833E+01 margarit 398.19 6 12.000 2-2.000 5-20.00 6 4.00013 2.00021 1.00023 margarit -71.176 -55.790 -43.131 -35.097 -29.602 -25.643 -22.682 -20.402 *BE88 margarit -18.605 -17.161 -15.983 -15.009 -14.194 margarit 0.5263300E+02-0.2560321E+05 0.3440928E-03 0.8991887E+05-0.1578085E+02 massicot 223.20 3 1.000 2-2.000 5 1.00016 massicot 5.759 5.250 4.781 4.443 4.182 3.969 3.790 3.636 *B672 massicot 3.499 3.376 3.265 3.162 3.067 massicot 0.7459785E+01 0.5452901E+03-0.2635633E-03-0.3158168E+04-0.1380348E+01 meionite 934.72 7 25.000 2 1.000 3-8.000 5-42.00 6 6.00013 6.00021 4.00023 meionite-141.508-114.078 -91.584 -77.347 -67.626 -60.636 -55.415 -51.401 *BE88 meionite -48.242 -45.710 -43.648 -41.946 -40.526 meionite 0.7514968E+02-0.4478637E+05 0.2941439E-03 0.3781453E+05-0.2705873E+02 mercury 200.59 1 1.00041 mercury -5.584 -3.431 -1.640 -0.486 0.316 0.905 1.353 1.706 *B672 mercury 1.990 2.222 2.416 2.580 2.719 mercury 0.6872289E+01-0.3252910E+04-0.3359691E-04-0.5100581E+04-0.5975348E+00 merwinit 328.71 6 8.000 2-8.000 5-8.000 6 2.00021 1.00022 3.00023 merwinit -81.456 -64.251 -49.961 -40.783 -34.421 -29.773 -26.242 -23.479 *BE88 merwinit -21.266 -19.458 -17.958 -16.696 -15.622 merwinit 0.2891421E+02-0.2684493E+05 0.5448432E-05 0.2066720E+05-0.8311242E+01 Mg(C) 24.31 3 1.000 1-2.000 5 1.00022 Mg(C) 36.475 29.160 23.024 19.035 16.234 14.159 12.559 11.287 *B672 Mg(C) 10.250 9.387 8.658 8.033 7.489 Mg(C) -0.4629033E+01 0.1112068E+05-0.4490866E-03-0.1345597E+05 0.1653014E+01 Mg-Al.PX 202.36 6 6.000 2-2.000 5-10.00 6 2.00013 1.00021 1.00022 Mg-Al.PX Mg-Al.PX Mg-Al.PX MgBr2(C) 184.11 3 -2.000 5 2.000 7 1.00022 MgBr2(C) -33.108 -24.550 -17.404 -12.787 -9.567 -7.201 -5.395 -3.974 *B674 MgBr2(C) -2.830 -1.893 -1.113 -0.456 0.104 MgBr2(C) 0.1259336E+02-0.1282820E+05-0.4507479E-03-0.9758449E+04-0.9825245E+00 MgCl2(C) 95.21 1 1.00022 MgCl2(C) -34.331 -25.482 -18.088 -13.308 -9.974 -7.523 -5.650 -4.175 *B674 MgCl2(C) -2.987 -2.011 -1.197 -0.510 0.078 MgCl2(C) 0.1554259E+02-0.1348753E+05-0.2064273E-03 0.1059624E+05-0.1896934E+01 MgF2(C) 62.30 3 -2.000 5 2.000 6 1.00022 MgF2(C) -54.681 -41.668 -30.757 -23.677 -18.722 -15.065 -12.260 -10.043 *B674 MgF2(C) -8.250 -6.772 -5.535 -4.485 -3.584 MgF2(C) 0.1470472E+02-0.1969216E+05-0.2732081E-03 0.2505201E+05-0.1429959E+01 MgFe2O4 200.00 5 -1.000 1 4.000 2-6.000 5 2.00010 1.00022 MgFe2O4 -46.343 -34.405 -24.502 -18.170 -13.818 -10.663 -8.280 -6.425 *RO78 MgFe2O4 -4.946 -3.743 -2.751 -1.919 -1.211 MgFe2O4 0.5537415E+02-0.2065884E+05 0.1289890E-02 0.1755878E+06-0.1405867E+02 MgS(C) 56.37 3 1.000 4-2.000 5 1.00022 MgS(C) -17.479 -13.365 -9.936 -7.724 -6.182 -5.047 -4.180 -3.496 B689 MgS(C) -2.944 -2.490 -2.110 -1.787 -1.511 MgS(C) 0.5977651E+01-0.6196187E+04 0.1196250E-04-0.9243695E+04-0.1040293E+01 MgTiO3 120.18 5 3.000 2-2.000 5-4.000 6 1.00022 1.00024 MgTiO3 -30.950 -24.600 -19.328 -15.945 -13.603 -11.894 -10.597 -9.582 *RO78 MgTiO3 -8.769 -8.106 -7.554 -7.090 -6.694 MgTiO3 0.1296312E+02-0.1014807E+05 0.2168844E-03 0.2582905E+05-0.4134858E+01 microcli 278.33 6 8.000 2-1.000 5-15.00 6 1.000 9 1.00013 3.00021 microcli 0.390 -1.169 -2.648 -3.729 -4.568 -5.247 -5.814 -6.298 *BE88 microcli -6.716 -7.083 -7.407 -7.696 -7.955 microcli 0.1825132E+02 0.1115047E+04 0.6320740E-03-0.2092559E+03-0.8804746E+01 millerit 90.75 3 1.000 4-2.000 5 1.00027 millerit -28.581 -22.038 -16.564 -13.019 -10.578 -8.813 -7.463 -6.401 *B689 millerit -5.547 -4.847 -4.267 -3.778 -3.364 millerit 0.3226207E+02-0.1206041E+05 0.1226780E-02 0.1908353E+06-0.9256837E+01 minnesot 473.88 5 12.000 2-6.000 5-16.00 6 4.00021 3.00010 minnesot minnesot minnesot minns-Mg 379.26 5 12.000 2-6.000 5-16.00 6 4.00021 3.00022 minns-Mg minns-Mg minns-Mg Mn(C) 54.94 3 1.000 1-2.000 5 1.00028 Mn(C) 15.344 12.423 9.987 8.412 7.311 6.498 5.871 5.372 *B672 Mn(C) 4.954 4.605 4.309 4.052 3.823 Mn(C) -0.8241692E+01 0.4832772E+04-0.8968897E-03-0.2271695E+05 0.3192511E+01 MnCl2(C) 125.84 1 1.00028 MnCl2(C) -28.438 -20.935 -14.661 -10.603 -7.771 -5.689 -4.098 -2.846 *B674 MnCl2(C) -1.839 -1.013 -0.326 0.253 0.746 MnCl2(C) 0.1113729E+02-0.1127290E+05-0.4418352E-03-0.3005423E+03-0.6590353E+00 MnF2(C) 92.93 3 -2.000 5 2.000 6 1.00028 MnF2(C) -29.563 -21.839 -15.371 -11.181 -8.253 -6.099 -4.452 -3.156 *B674 MnF2(C) -2.117 -1.271 -0.567 0.026 0.530 MnF2(C) 0.6355340E+01-0.1133416E+05-0.9144625E-03-0.1288795E+05 0.1016150E+01 MnFe2O4 230.63 5 -1.000 1 4.000 2-6.000 5 2.00010 1.00028 MnFe2O4 -33.285 -24.074 -16.459 -11.612 -8.291 -5.901 -4.119 -2.755 *BA73 MnFe2O4 -1.692 -0.850 -0.177 0.364 0.802 MnFe2O4 0.2411123E+02-0.1445710E+05-0.1699559E-02 0.1695608E+05-0.3471871E+01 MnO2(C) 86.94 4 -1.000 1 2.000 2-2.000 5 1.00028 MnO2(C) 13.944 12.279 10.839 9.865 9.151 8.601 8.160 7.796 *B672 MnO2(C) 7.488 7.224 6.993 6.789 6.608 MnO2(C) 0.1506421E+02 0.1836708E+04 0.5746202E-04 0.3184431E+05-0.3094017E+01 MnS(l) 87.00 3 1.000 4-2.000 5 1.00028 MnS(l) -15.195 -11.651 -8.737 -6.885 -5.613 -4.690 -3.995 -3.454 *B689 MnS(l) -3.024 -2.675 -2.388 -2.147 -1.944 MnS(l) 0.9540058E+01-0.5489461E+04 0.5835574E-04-0.1971659E+05-0.2472868E+01 MnSO4(C) 151.00 5 -4.000 1 4.000 2 1.000 4-2.000 5 1.00028 MnSO4(C) 13.609 13.361 13.020 12.684 12.364 12.062 11.779 11.512 *B677 MnSO4(C) 11.262 11.026 10.804 10.593 10.393 MnSO4(C) 0.3743932E+02-0.1203487E+04-0.2373661E-04 0.6164094E+05-0.8276718E+01 MnSO4.1W 169.01 5 -4.000 1 5.000 2 1.000 4-2.000 5 1.00028 MnSO4.1W 9.501 11.690 13.348 14.233 14.676 14.839 14.811 14.648 *B677 MnSO4.1W 14.384 14.042 13.639 13.187 12.694 MnSO4.1W 0.5686341E+01-0.3116116E+04-0.8573103E-02-0.1532330E+05 0.6868054E+01 MnSO4.4W 223.06 5 -4.000 1 8.000 2 1.000 4-2.000 5 1.00028 MnSO4.4W 5.166 12.826 18.997 22.722 25.064 26.545 27.449 27.946 *B677 MnSO4.4W 28.146 28.120 27.918 27.577 27.123 MnSO4.4W 0.1941679E+02-0.1123912E+05-0.1349291E-01-0.3035242E+04 0.1111464E+02 MnSO4.5W 241.07 5 -4.000 1 9.000 2 1.000 4-2.000 5 1.00028 MnSO4.5W 3.526 13.008 20.584 25.103 27.900 29.628 30.641 31.153 *B677 MnSO4.5W 31.298 31.166 30.819 30.302 29.647 MnSO4.5W 0.2780964E+02-0.1426530E+05-0.1715012E-01-0.4977010E+04 0.1161142E+02 MnSO4.7W 277.10 5 -4.000 111.000 2 1.000 4-2.000 5 1.00028 MnSO4.7W 1.124 14.225 24.825 31.261 35.336 37.937 39.548 40.462 *B677 MnSO4.7W 40.863 40.875 40.584 40.051 39.323 MnSO4.7W 0.1989235E+02-0.1899009E+05-0.2305630E-01 0.2601101E+04 0.2092184E+02 MnS2(C) 119.06 4 -1.000 1 2.000 4-2.000 5 1.00028 MnS2(C) -12.346 -8.878 -6.027 -4.216 -2.976 -2.080 -1.408 -0.889 *B689 MnS2(C) -0.479 -0.150 0.119 0.341 0.526 MnS2(C) 0.1175420E+02-0.5425182E+04-0.1330762E-03-0.1141131E+05-0.2318091E+01 MnWO4(C) 302.79 3 -2.000 5 1.00028 1.00018 1.0 8 MnWO4(C) -48.768 -37.649 -28.340 -22.295 -18.055 -14.918 -12.505 -10.594 *BA73 MnWO4(C) -9.045 -7.765 -6.692 -5.782 -5.000 MnWO4(C)-0.8195471E+00-0.1573901E+05-0.7578241E-03-0.8126317E+05 0.2416912E+01 Mn3O4(C) 228.81 4 -1.000 1 4.000 2-6.000 5 3.00028 Mn3O4(C) -18.610 -12.618 -7.650 -4.474 -2.289 -0.707 0.480 1.394 *B672 Mn3O4(C) 2.114 2.688 3.152 3.531 3.829 Mn3O4(C) 0.1374601E+02-0.9016651E+04-0.1206428E-02-0.1662159E+05-0.6335806E+00 Mo(C) 95.94 3 3.000 1 1.00017-4.000 2 Mo(C) -22.258 -18.123 -14.545 -12.130 -10.370 -9.019 -7.942 -7.061 B672 Mo(C) -6.323 -5.695 -5.153 -4.681 -4.265 Mo(C) -0.2748749E+02-0.4503642E+04-0.7595819E-03-0.7694243E+05 0.8659201E+01 MoBr2(C) 255.75 4 2.000 1 2.000 7 1.00017-4.000 2 MoBr2(C) -36.151 -27.465 -20.133 -15.325 -11.920 -9.377 -7.401 -5.821 *B674 MoBr2(C) -4.528 -3.449 -2.536 -1.754 -1.076 MoBr2(C)-0.7834871E+01-0.1181482E+05-0.6219595E-03-0.6998796E+05 0.4964209E+01 MoBr3(C) 335.65 4 1.500 1 3.000 7 1.00017-4.000 2 MoBr3(C) -39.562 -29.327 -20.722 -15.108 -11.151 -8.210 -5.937 -4.128 *B674 MoBr3(C) -2.655 -1.431 -0.401 0.479 1.237 MoBr3(C) 0.2298224E+00-0.1429623E+05-0.6567147E-03-0.7054370E+05 0.3696702E+01 MoBr4(C) 415.56 4 1.000 1-4.000 2 4.000 7 1.00017 MoBr4(C) -31.631 -21.971 -13.883 -8.631 -4.948 -2.223 -0.128 1.531 *B674 MoBr4(C) 2.875 3.985 4.915 5.705 6.381 MoBr4(C) 0.1007608E+02-0.1369136E+05-0.6854379E-03-0.6827242E+05 0.2095949E+01 MoCl3(C) 202.30 4 1.500 1-4.000 2 3.000 5 1.00017 MoCl3(C) -28.279 -20.081 -13.175 -8.662 -5.479 -3.113 -1.285 0.170 *B674 MoCl3(C) 1.353 2.335 3.161 3.864 4.470 MoCl3(C) 0.2953047E+01-0.1153592E+05-0.6671672E-03-0.3763788E+05 0.3266164E+01 MoCl4(C) 237.75 4 1.000 1-4.000 2 4.000 5 1.00017 MoCl4(C) -22.461 -14.578 -7.956 -3.643 -0.609 1.641 3.376 4.754 *B674 MoCl4(C) 5.874 6.802 7.582 8.246 8.818 MoCl4(C) 0.1116757E+02-0.1125061E+05-0.4399415E-03-0.3661289E+05 0.1878862E+01 MoCl5(C) 273.21 4 0.500 1 5.000 5 1.00017-4.000 2 MoCl5(C) -12.983 -6.611 -1.327 2.051 4.370 6.038 7.278 8.219 *B674 MoCl5(C) 8.943 9.504 9.940 10.277 10.535 MoCl5(C) 0.7620757E+01-0.8790086E+04-0.3110390E-02-0.6514333E+05 0.4258926E+01 molybden 160.06 4 1.000 1-4.000 2 2.000 4 1.00017 molybden -57.336 -44.966 -34.547 -27.736 -22.926 -19.341 -16.563 -14.344 B689 molybden -12.529 -11.016 -9.734 -8.634 -7.680 molybden-0.6380106E+01-0.1752076E+05-0.2041852E-03-0.5870680E+05 0.3447319E+01 MoO2(C) 127.94 3 1.000 1-2.000 2 1.00017 MoO2(C) -35.551 -27.738 -21.141 -16.819 -13.762 -11.482 -9.716 -8.306 B672 MoO2(C) -7.154 -6.197 -5.388 -4.697 -4.100 MoO2(C) -0.8048437E+01-0.1085750E+05-0.5983831E-03-0.4010837E+05 0.3856715E+01 MoO3(C) 143.94 2 -1.000 2 1.00017 MoO3(C) -19.149 -14.370 -10.357 -7.744 -5.907 -4.546 -3.499 -2.669 *B672 MoO3(C) -1.997 -1.443 -0.980 -0.589 -0.255 MoO3(C) -0.2310506E+01-0.6567600E+04-0.6551942E-03-0.4194931E+05 0.2366793E+01 Mo2S3(C) 288.06 4 3.000 1-8.000 2 3.000 4 2.00017 Mo2S3(C) -96.240 -75.870 -58.672 -47.395 -39.408 -33.443 -28.809 -25.103 B689 Mo2S3(C) -22.068 -19.536 -17.391 -15.550 -13.954 Mo2S3(C)-0.2547923E+02-0.2807149E+05-0.1108555E-02-0.1320387E+06 0.1018706E+02 monticel 156.47 6 4.000 2-4.000 5-4.000 6 1.00021 1.00022 1.00023 monticel -43.802 -34.464 -26.699 -21.706 -18.242 -15.708 -13.783 -12.275 *BE88 monticel -11.066 -10.077 -9.257 -8.566 -7.977 monticel 0.1586435E+02-0.1461251E+05 0.1268805E-04 0.2105206E+05-0.4403479E+01 montroyd 216.59 3 -1.000 1 1.000 2 1.00041 montroyd 24.205 21.024 18.297 16.476 15.161 14.159 13.364 12.714 *B672 montroyd 12.170 11.705 11.301 10.945 10.629 montroyd 0.1602704E+02 0.4246284E+04-0.3013686E-03 0.1342912E+05-0.2475460E+01 muscovit 398.31 6 12.000 2-1.000 5-21.00 6 1.000 9 3.00013 3.00021 muscovit -34.807 -27.370 -21.398 -17.723 -15.295 -13.612 -12.406 -11.520 *BE88 muscovit -10.856 -10.350 -9.962 -9.660 -9.424 muscovit 0.5410785E+02-0.1410568E+05 0.7404074E-03 0.1074859E+06-0.1739109E+02 Na(C) 22.99 3 0.500 1-1.000 5 1.000 8 Na(C) 17.738 14.759 12.232 10.562 9.365 8.457 7.738 7.150 *B672 Na(C) 6.654 6.228 5.855 5.522 5.222 Na(C) 0.9778816E+00 0.4459654E+04-0.1067907E-02-0.5365370E+04 0.8814382E+00 NaBr(C) 102.89 3 -1.000 5 1.000 7 1.000 8 NaBr(C) -34.027 -25.583 -18.528 -13.967 -10.786 -8.449 -6.664 -5.261 *B674 NaBr(C) -4.132 -3.209 -2.441 -1.795 -1.246 NaBr(C) 0.9699148E+01-0.1259697E+05-0.5986217E-03-0.1067316E+05-0.4757382E+00 NaF(C) 41.99 3 -1.000 5 1.000 6 1.000 8 NaF(C) -29.209 -21.618 -15.273 -11.171 -8.310 -6.208 -4.603 -3.342 *B674 NaF(C) -2.327 -1.496 -0.805 -0.223 0.272 NaF(C) 0.1170588E+02-0.1147354E+05-0.4274113E-03 0.4625489E+04-0.9525563E+00 NaO2(C) 54.99 4 -1.500 1 2.000 2-1.000 5 1.000 8 NaO2(C) 59.509 48.638 39.399 33.303 28.960 25.694 23.141 21.081 *B672 NaO2(C) 19.381 17.947 16.720 15.654 14.717 NaO2(C) 0.1574468E+02 0.1566038E+05-0.5991776E-03-0.1528494E+05-0.3398854E+01 Na2O(C) 61.98 3 1.000 2-2.000 5 2.000 8 Na2O(C) 9.242 9.449 9.563 9.588 9.567 9.519 9.455 9.380 *B672 Na2O(C) 9.297 9.210 9.119 9.025 8.929 Na2O(C) 0.1283247E+02-0.4377291E+03-0.9761276E-03-0.1265134E+05-0.6825508E+00 Na2O2(C) 77.98 4 -1.000 1 2.000 2-2.000 5 2.000 8 Na2O2(C) 37.059 32.060 27.754 24.861 22.761 21.152 19.832 18.747 *B672 Na2O2(C) 17.840 17.067 16.399 15.815 15.299 Na2O2(C) 0.5688992E+02 0.3884628E+04 0.1384771E-02 0.2634724E+06-0.1464319E+02 Na2S(C) 78.04 3 1.000 4-2.000 5 2.000 8 Na2S(C) -20.776 -14.593 -9.483 -6.219 -3.969 -2.336 -1.103 -0.145 *B689 Na2S(C) 0.615 1.228 1.714 2.091 2.394 Na2S(C) -0.1032103E+02-0.7167488E+04-0.2632712E-02-0.2204223E+06 0.6808351E+01 Na2SO4-I 142.04 5 -4.000 1 1.000 4-2.000 5 2.000 8 4.000 2 Na2SO4-I -20.292 -12.507 -6.200 -2.272 0.364 2.223 3.581 4.600 *JA82 Na2SO4-I 5.379 5.982 6.454 6.825 7.117 Na2SO4-I 0.4553968E+02-0.1278367E+05-0.6401602E-03-0.2476839E+05-0.9087146E+01 Na2SO4-4 142.04 5 -4.000 1 1.000 4-2.000 5 2.000 8 4.000 2 Na2SO4-4 -20.936 -12.882 -6.294 -2.157 0.633 2.607 4.050 5.131 *JA82 Na2SO4-4 5.953 6.584 7.072 7.448 7.737 Na2SO4-4 0.3925184E+02-0.1320632E+05-0.1687112E-02 0.2572897E+05-0.6336824E+01 Na2SO4-V 142.04 5 -4.000 1 1.000 4-2.000 5 2.000 8 4.000 2 Na2SO4-V -20.952 -12.889 -6.293 -2.152 0.642 2.618 4.064 5.146 *JA82 Na2SO4-V 5.969 6.602 7.090 7.467 7.757 Na2SO4-V 0.3917719E+02-0.1320936E+05-0.1692929E-02 0.2466894E+05-0.6303500E+01 nephelin 142.05 6 -1.000 5-7.000 6 1.000 8 1.00013 1.00021 4.000 2 nephelin nephelin nephelin nesqueho 138.36 4 4.000 2 1.00022 1.000 3-2.000 5 nesqueho nesqueho nesqueho nickel 58.69 3 1.000 1-2.000 5 1.00027 nickel -18.711 -14.678 -11.275 -9.050 -7.484 -6.319 -5.418 -4.700 *B672 nickel -4.115 -3.629 -3.219 -2.870 -2.569 nickel -0.1006731E+01-0.5877067E+04-0.1352154E-03-0.4181295E+03 0.8293706E+00 NiBr2(C) 218.50 3 -2.000 5 2.000 7 1.00027 NiBr2(C) -33.991 -25.085 -17.636 -12.812 -9.440 -6.956 -5.053 -3.552 *B674 NiBr2(C) -2.340 -1.343 -0.510 0.195 0.798 NiBr2(C) 0.1216682E+02-0.1326622E+05-0.3593783E-03-0.1130619E+05-0.5772430E+00 NiCl2(C) 129.60 1 1.00027 NiCl2(C) -30.727 -22.464 -15.551 -11.074 -7.945 -5.641 -3.877 -2.486 *B674 NiCl2(C) -1.364 -0.442 0.328 0.979 1.536 NiCl2(C) 0.1256429E+02-0.1237845E+05-0.3543377E-03-0.2282925E+04-0.6637370E+00 NiF2(C) 96.69 3 -2.000 5 2.000 6 1.00027 NiF2(C) -29.140 -21.206 -14.553 -10.234 -7.209 -4.977 -3.265 -1.913 *B674 NiF2(C) -0.821 0.079 0.830 1.466 2.010 NiF2(C) 0.9966014E+01-0.1178087E+05-0.4535330E-03-0.1048330E+04 0.2239847E+00 NiFe2O4 234.38 5 -1.000 1 4.000 2-6.000 5 2.00010 1.00027 NiFe2O4 -41.532 -30.373 -21.144 -15.257 -11.213 -8.290 -6.103 -4.433 *BA73 NiFe2O4 -3.114 -2.051 -1.180 -0.458 0.149 NiFe2O4 0.5423746E+02-0.1957928E+05 0.4583694E-03 0.1985248E+06-0.1312119E+02 Ni-oxide 74.69 3 1.000 2-2.000 5 1.00027 Ni-oxide Ni-oxide Ni-oxide NiS(l) 90.75 3 1.000 4-2.000 5 1.00027 NiS(l) -24.740 -19.153 -14.536 -11.584 -9.545 -8.058 -6.930 -6.049 *B689 NiS(l) -5.343 -4.767 -4.289 -3.887 -3.545 NiS(l) 0.1173442E+02-0.8573385E+04 0.8820174E-04-0.2349867E+05-0.3023368E+01 NiSO4(C) 154.75 5 -4.000 1 4.000 2 1.000 4-2.000 5 1.00027 NiSO4(C) 13.716 13.649 13.463 13.233 12.990 12.749 12.516 12.293 *B677 NiSO4(C) 12.081 11.879 11.688 11.506 11.334 NiSO4(C) 0.3881699E+02-0.1473778E+04 0.1687034E-03 0.6144238E+05-0.8446150E+01 NiSO4.1W 172.76 5 -4.000 1 5.000 2 1.000 4-2.000 5 1.00027 NiSO4.1W 8.454 11.043 13.037 14.145 14.745 15.027 15.093 15.005 *B677 NiSO4.1W 14.803 14.513 14.155 13.743 13.285 NiSO4.1W 0.5988653E+01-0.3650044E+04-0.8553976E-02-0.1994367E+05 0.7065227E+01 NiSO4.4W 226.81 5 -4.000 1 8.000 2 1.000 4-2.000 5 1.00027 NiSO4.4W 1.486 10.150 17.167 21.445 24.180 25.953 27.084 27.764 *B677 NiSO4.4W 28.113 28.213 28.117 27.868 27.494 NiSO4.4W 0.1978650E+02-0.1264603E+05-0.1348250E-01-0.9370837E+04 0.1141258E+02 NiSO4.6W 262.84 5 -4.000 110.000 2 1.000 4-2.000 5 1.00027 NiSO4.6W -2.250 10.280 20.496 26.825 30.995 33.843 35.827 37.215 *B677 NiSO4.6W 38.177 38.823 39.229 39.449 39.522 NiSO4.6W 0.8952720E+02-0.2164511E+05-0.7497522E-02 0.1845172E+06-0.7686365E+01 NiSO4.7W 280.85 5 -4.000 111.000 2 1.000 4-2.000 5 1.00027 NiSO4.7W -3.707 10.627 22.365 29.717 34.657 38.138 40.677 42.575 *B677 NiSO4.7W 44.020 45.135 46.003 46.683 47.215 NiSO4.7W 0.1387244E+03-0.2638206E+05-0.4791080E-03 0.2873344E+06-0.2304972E+02 NiS2(C) 122.81 4 -1.000 1 2.000 4-2.000 5 1.00027 NiS2(C) -28.854 -21.688 -15.731 -11.896 -9.230 -7.275 -5.784 -4.613 *B689 NiS2(C) -3.672 -2.900 -2.258 -1.717 -1.256 NiS2(C) 0.1103266E+02-0.1066654E+05-0.2330184E-03-0.3371043E+05-0.1480030E+01 Ni2SiO4 209.46 5 4.000 2-4.000 5-4.000 6 1.00021 2.00027 2.0 3 Ni2SiO4 -21.055 -15.973 -11.790 -9.137 -7.325 -6.022 -5.050 -4.305 *B677 Ni2SiO4 -3.722 -3.257 -2.883 -2.579 -2.329 Ni2SiO4 0.1522522E+02-0.8151337E+04-0.4304027E-03 0.7449743E+04-0.3595168E+01 Ni3S2(C) 240.19 4 1.000 1 2.000 4-6.000 5 3.00027 Ni3S2(C) -81.562 -63.276 -47.937 -37.970 -30.983 -25.821 -22.017 -19.247 *B689 Ni3S2(C) -17.022 -15.198 -13.679 -12.396 -11.300 Ni3S2(C) 0.1123240E+03-0.3833003E+05 0.1897473E-02 0.1156819E+07-0.3187762E+02 Ni3S4(C) 304.31 4 -1.000 1 4.000 4-6.000 5 3.00027 Ni3S4(C) -83.801 -64.086 -47.642 -37.036 -29.661 -24.263 -20.163 -16.961 *B689 Ni3S4(C) -14.408 -12.338 -10.637 -9.225 -8.044 Ni3S4(C) 0.7958082E+01-0.2874108E+05-0.3257662E-02-0.8058734E+05 0.2633629E+01 orpiment 246.02 3 3.000 4 2.00019-6.000 5 orpiment -11.300 -9.210 -7.536 -6.502 -5.810 -5.323 -4.966 -4.697 *B689 orpiment -4.489 -4.327 -4.198 -4.094 -4.010 orpiment 0.6700492E+01-0.3264837E+04 0.1930156E-04-0.3668872E+05-0.2684732E+01 orthoens 200.80 5 6.000 2-4.000 5-8.000 6 2.00021 2.00022 1.0 2 orthoens *BE88 stoch has been doubled orthoens orthoens paragoni 382.20 6 12.000 2-1.000 5-21.00 6 1.000 8 3.00013 3.00021 paragoni -35.352 -27.738 -21.609 -17.827 -15.320 -13.576 -12.317 -11.385 *BE88 paragoni -10.679 -10.135 -9.709 -9.371 -9.100 paragoni 0.5863221E+02-0.1468503E+05 0.1270593E-02 0.1349309E+06-0.1884317E+02 pargasit 835.86 8 -13.00 5-33.00 6 1.000 8 2.00023 4.00022 3.00013 6.0002124.000 2 pargasit pargasit pargasit Pb(C) 207.20 3 1.000 1-2.000 5 1.00016 Pb(C) -1.367 -0.996 -0.684 -0.483 -0.345 -0.246 -0.174 -0.122 *B672 Pb(C) -0.083 -0.056 -0.038 -0.027 -0.022 Pb(C) -0.3112071E+01-0.3471129E+03-0.5241585E-03-0.1240556E+05 0.1295265E+01 PbBr2(C) 367.01 3 -2.000 5 2.000 7 1.00016 PbBr2(C) -28.562 -20.970 -14.652 -10.591 -7.776 -5.722 -4.169 -2.960 *B674 PbBr2(C) -2.000 -1.225 -0.591 -0.067 0.368 PbBr2(C) 0.9567699E+01-0.1123409E+05-0.1240182E-02-0.2558794E+05 0.8371267E-01 PbCl2(C) 278.11 1 1.00016 PbCl2(C) -23.011 -16.512 -11.108 -7.638 -5.236 -3.486 -2.163 -1.134 *B674 PbCl2(C) -0.317 0.343 0.882 1.329 1.700 PbCl2(C) 0.1226465E+02-0.9795539E+04-0.8793931E-03-0.1040708E+05-0.8252695E+00 PbF2(C) 245.20 3 -2.000 5 2.000 6 1.00016 PbF2(C) -12.997 -8.511 -4.792 -2.413 -0.802 0.325 1.147 1.771 *B674 PbF2(C) 2.258 2.649 2.967 3.233 3.458 PbF2(C) 0.6620299E+02-0.1153998E+05 0.2489538E-02 0.4149150E+06-0.1855030E+02 PbO2(C) 239.20 4 -1.000 1 2.000 2-2.000 5 1.00016 PbO2(C) 40.473 33.551 27.665 23.776 20.999 18.907 17.266 15.940 *B672 PbO2(C) 14.842 13.914 13.117 12.423 11.811 PbO2(C) 0.1449410E+02 0.9786194E+04-0.4373319E-03 0.6125495E+04-0.2741105E+01 PbS(l) 239.26 3 1.000 4-2.000 5 1.00016 PbS(l) -11.143 -8.260 -5.922 -4.461 -3.475 -2.774 -2.256 -1.861 *B689 PbS(l) -1.554 -1.310 -1.114 -0.954 -0.822 PbS(l) 0.1436203E+02-0.4749768E+04 0.1331601E-03-0.1101315E+05-0.3835237E+01 Pb3O4(C) 685.60 4 -1.000 1 4.000 2-6.000 5 3.00016 Pb3O4(C) 50.681 42.969 36.315 31.838 28.584 26.089 24.099 22.464 *B672 Pb3O4(C) 21.089 19.910 18.884 17.979 17.172 Pb3O4(C) 0.4016858E+02 0.9760608E+04-0.4144919E-03 0.5118954E+05-0.9164526E+01 periclas 40.30 3 1.000 2-2.000 5 1.00022 periclas -23.201 -17.861 -13.392 -10.498 -8.478 -6.990 -5.852 -4.954 *BE88 periclas -4.230 -3.633 -3.135 -2.713 -2.351 periclas 0.7495914E+01-0.8223306E+04-0.2797933E-04 0.1756440E+05-0.1335674E+01 periclFe 71.85 3 1.000 2-2.000 5 1.00010 periclFe PericlFe PericlFe perov-Al 101.96 3 3.000 2 2.00013-6.000 6 perov-Al perov-Al perov-Al perov-Ca 116.16 5 3.000 2 1.00023 1.00021-2.000 5-4.000 6 perov-Ca perov-Ca perov-Ca perov-Fe 131.93 5 3.000 2 1.00010 1.00021-2.000 5-4.000 6 perov-Fe perov-Fe perov-Fe perov-Mg 100.39 5 3.000 2 1.00022 1.00021-2.000 5-4.000 6 perov-Mg perov-Mg perov-Mg phlogopi 417.26 7 12.000 2-7.000 5-15.00 6 1.000 9 1.00013 3.00021 3.00022 phlogopi -94.727 -73.580 -56.070 -44.875 -37.156 -31.546 -27.307 -24.008 *BE88 phlogopi -21.376 -19.236 -17.467 -15.983 -14.723 phlogopi 0.6375694E+02-0.3461594E+05 0.9994633E-03 0.1298490E+06-0.1783825E+02 phlog-Na 401.12 7 12.000 2-7.000 5-15.00 6 1.000 8 1.00013 3.00021 3.00022 phlog-Na phlog-Na phlog-Na picrochr 192.30 5 1.000 1 4.000 2-10.00 5 1.00022 2.00025 picrochr -90.774 -73.408 -58.848 -49.400 -42.784 -37.900 -34.152 -31.188 *RO78 picrochr -28.788 -26.807 -25.147 -23.736 -22.523 picrochr 0.3108538E+01-0.2633777E+05-0.1400656E-03 0.3587640E+05-0.2387231E+01 prehnite 412.39 6 12.000 2-4.000 5-18.00 6 2.00013 3.00021 2.00023 prehnite -61.426 -48.314 -37.542 -30.717 -26.057 -22.707 -20.207 -18.288 *BE88 prehnite -16.780 -15.574 -14.594 -13.788 -13.117 prehnite 0.4342226E+02-0.2172297E+05 0.1613076E-04 0.6135774E+05-0.1320842E+02 prehn-Fe 441.24 8 -0.500 1-6.000 5-15.00 6 2.00023 1.00013 1.00010 3.00021 12.00 2 prehn-Fe prehn-Fe prehn-Fe protoens 200.80 5 6.000 2-4.000 5-8.000 6 2.00021 2.00022 protoens *BE88 stoch has been doubled protoens protoens pseudowo 116.16 5 3.000 2-2.000 5-4.000 6 1.00021 1.00023 pseudowo -17.110 -13.856 -11.182 -9.487 -8.328 -7.492 -6.866 -6.383 *BE88 pseudowo -6.001 -5.692 -5.439 -5.229 -5.052 pseudowo 0.9895960E+01-0.5423989E+04 0.2135497E-03 0.1536755E+05-0.3657506E+01 pyrite 119.97 4 -1.000 1 2.000 4-2.000 5 1.00010 pyrite -22.454 -16.359 -11.299 -8.052 -5.802 -4.158 -2.909 -1.931 *B689 pyrite -1.148 -0.507 0.025 0.473 0.854 pyrite 0.1706992E+02-0.9505299E+04 0.6567980E-04 0.3528252E+04-0.3112736E+01 pyrope 403.13 6 12.000 2-6.000 5-18.00 6 2.00013 3.00021 3.00022 pyrope -73.397 -58.938 -47.035 -39.468 -34.279 -30.527 -27.708 -25.526 *BE88 pyrope -23.796 -22.398 -21.250 -20.294 -19.488 pyrope 0.3770559E+02-0.2350584E+05 0.4881488E-03 0.3313767E+05-0.1324807E+02 pyrophan 150.81 5 3.000 2-2.000 5-4.000 6 1.00028 1.00024 pyrophan pyrophan pyrophan pyrophyl 360.32 4 12.000 2-22.00 6 2.00013 4.00021 pyrophyl 16.938 12.237 8.041 5.130 2.959 1.255 -0.131 -1.289 *BE88 pyrophyl -2.277 -3.133 -3.884 -4.550 -5.145 pyrophyl 0.3107497E+02 0.5042755E+04 0.4077780E-03 0.2400289E+05-0.1270643E+02 pyrrhoti 81.60 4 -0.113 1 1.000 4-1.774 5 0.88710 pyrrhoti -18.302 -13.975 -10.395 -8.114 -6.550 -5.409 -4.540 -3.858 *B689 pyrrhoti -3.309 -2.861 -2.489 -2.177 -1.913 pyrrhoti 0.1223493E+02-0.6725493E+04 0.3197462E-03-0.2090870E+05-0.3168894E+01 pyrr.875 80.93 4 -1.750 5-0.125 1 0.87510 1.000 4 pyrr.875 pyrr.875 pyrr.875 pyrxmngt 131.02 5 -2.000 5-4.000 6 1.00028 1.00021 3.000 2 pyrxmngt pyrxmngt pyrxmngt quartz-a 60.08 3 2.000 2-4.000 6 1.00021 quartz-a 12.614 9.257 6.396 4.506 3.159 2.144 1.348 0.708 *BE88 quartz-a 0.183 -0.255 -0.627 -0.946 -1.223 quartz-a 0.7818900E+01 0.4204445E+04 0.5697073E-03 0.4320987E+05-0.4025996E+01 quartz-b 60.08 3 2.000 2-4.000 6 1.00021 quartz-b 12.833 9.404 6.482 4.553 3.179 2.150 1.348 0.704 *BE88 quartz-b 0.177 -0.264 -0.637 -0.958 -1.236 quartz-b 0.1800480E+01 0.4848413E+04 0.2549387E-03-0.6393388E+04-0.2114881E+01 rankinit 288.41 5 -6.000 5-8.000 6 3.00023 2.00021 7.000 2 rankinit rankinit rankinit Rb(C) 85.47 3 0.500 1-1.000 5 1.00033 Rb(C) 26.605 21.783 17.690 14.977 13.023 11.529 10.335 9.347 *B672 Rb(C) 8.506 7.773 7.123 6.536 5.999 Rb(C) -0.3533051E+01 0.7267581E+04-0.2585869E-02-0.3076995E+04 0.2654368E+01 RbCl(C) 120.92 1 1.00033 RbCl(C) -27.076 -19.993 -14.080 -10.260 -7.598 -5.641 -4.147 -2.972 *BA77 RbCl(C) -2.026 -1.250 -0.603 -0.058 0.407 RbCl(C) 0.1206468E+02-0.1070604E+05-0.2563770E-03-0.2040428E+04-0.1266166E+01 RbF(C) 104.47 3 -1.000 5 1.000 6 1.00033 RbF(C) -17.748 -12.559 -8.240 -5.465 -3.542 -2.140 -1.079 -0.252 *B674 RbF(C) 0.407 0.940 1.379 1.743 2.049 RbF(C) 0.1283426E+02-0.8020402E+04-0.4489135E-03 0.9819408E+04-0.1478454E+01 RbO2(C) 117.47 4 -1.500 1 2.000 2-1.000 5 1.00033 RbO2(C) 65.805 53.722 43.445 36.655 31.811 28.167 25.314 23.014 *B672 RbO2(C) 21.115 19.516 18.147 16.961 15.921 RbO2(C) 0.2397014E+02 0.1693655E+05-0.1596155E-03 0.1460982E+05-0.6097300E+01 realgar 427.93 4 2.000 1 4.000 4 4.00019-12.00 5 realgar -25.992 -21.907 -18.559 -16.436 -14.984 -13.941 -13.165 -12.575 *B689 realgar -12.117 -11.759 -11.478 -11.256 -11.081 realgar -0.1069330E+02-0.5424025E+04-0.1543414E-02-0.9132451E+05 0.1770565E+01 rhodochr 114.95 4 1.000 2 1.000 3-2.000 5 1.00028 rhodochr rhodochr rhodochr rhodonit 131.02 5 3.000 2-2.000 5-4.000 6 1.00021 1.00028 rhodonit 0.252 -0.165 -0.574 -0.881 -1.124 -1.325 -1.494 -1.641 *RO78 rhodonit -1.770 -1.884 -1.987 -2.080 -2.165 rhodonit 0.5177236E+01 0.3454438E+03 0.4763449E-04-0.1152786E+05-0.2411979E+01 riebecki 935.90 7 -1.000 1-12.00 5-32.00 6 2.000 8 5.00010 8.0002124.000 2 riebecki riebecki riebecki ringw-Mg 140.69 5 4.000 2 -4.000 5-4.000 6 2.00022 1.00021 ringw-Mg ringw-Mg ringw-Mg ringw-Fe 203.77 5 4.000 2 -4.000 5-4.000 6 2.00010 1.00021 ringw-Fe ringw-Fe ringw-Fe romarchi 134.69 3 1.000 2-2.000 5 1.00038 romarchi -2.074 -1.011 -0.165 0.348 0.680 0.905 1.062 1.172 *B672 romarchi 1.251 1.306 1.344 1.368 1.383 romarchi 0.9495516E+01-0.1916920E+04-0.1649278E-03 0.3568049E+04-0.2073672E+01 rutile 79.88 3 2.000 2-4.000 6 1.00024 rutile -3.253 -3.177 -3.155 -3.172 -3.203 -3.241 -3.279 -3.317 *BE88 rutile -3.353 -3.387 -3.418 -3.447 -3.474 rutile 0.4494716E+01-0.4606446E+03 0.2852017E-03 0.1807734E+04-0.2549310E+01 S(l) 32.06 2 -1.000 1 1.000 4 S(l) 5.933 5.122 4.375 3.827 3.409 3.077 2.806 2.578 *B672 S(l) 2.383 2.215 2.067 1.936 1.819 S(l) 0.1237614E+02 0.8065149E+03 0.3463878E-03-0.1668828E+05-0.3663288E+01 S(M) 32.06 2 -1.000 1 1.000 4 S(M) 5.873 5.112 4.428 3.950 3.594 3.315 3.090 2.904 *B672 S(M) 2.747 2.613 2.497 2.395 2.305 S(M) 0.9285307E+01 0.8137599E+03 0.2674468E-03-0.2831241E+04-0.2501424E+01 S(O) 32.06 2 -1.000 1 1.000 4 S(O) 5.861 5.113 4.442 3.973 3.624 3.352 3.132 2.951 *B672 S(O) 2.798 2.668 2.555 2.456 2.369 S(O) 0.8899627E+01 0.8256055E+03 0.2550729E-03-0.4805909E+04-0.2356017E+01 sanidine 278.33 6 8.000 2-1.000 5-15.00 6 1.000 9 1.00013 3.00021 1.0 4 sanidine 1.549 -0.402 -2.209 -3.502 -4.492 -5.282 -5.935 -6.487 *BE88 sanidine -6.961 -7.373 -7.737 -8.059 -8.346 sanidine 0.1810140E+02 0.1631303E+04 0.6699214E-03 0.6379470E+04-0.9010058E+01 sapph221 689.26 6 -8.000 5-32.00 6 4.00022 8.00013 2.00021 20.00 2 sapph221 sapph221 sapph221 sapFe221 815.38 6 -8.000 5-32.00 6 4.00010 8.00013 2.00021 20.00 2 sapFe221 sapFe221 sapFe221 sapph351 690.79 6 -6.000 5-34.00 6 3.0002210.00013 1.00021 20.00 2 sapph351 sapph351 sapph351 SbF3(C) 178.75 3 3.000 6 1.00020-3.000 5 SbF3(C) -1.278 0.771 2.443 3.481 4.164 4.626 4.942 5.156 *B674 SbF3(C) 5.295 5.378 5.417 5.421 5.398 SbF3(C) 0.3878750E+01-0.2907450E+04-0.2350568E-02-0.1254584E+05 0.2197215E+01 Sb2O4(C) 307.50 4 -1.000 1 4.000 2-6.000 5 2.00020 Sb2O4(C) 26.237 21.499 17.439 14.734 12.791 11.320 10.164 9.228 *B672 Sb2O4(C) 8.452 7.798 7.238 6.752 6.327 Sb2O4(C) 0.1642978E+02 0.6312638E+04 0.3028202E-03 0.1193193E+05-0.4683904E+01 Sb2O5(C) 323.50 4 -2.000 1 5.000 2-6.000 5 2.00020 Sb2O5(C) 60.457 49.475 40.172 34.060 29.727 26.490 23.977 21.969 *B672 Sb2O5(C) 20.327 18.959 17.802 16.811 15.954 Sb2O5(C) 0.2203175E+02 0.1544590E+05 0.7829732E-03 0.2044944E+05-0.5594812E+01 selenium 78.96 2 -1.000 1 1.00035 selenium -2.738 -1.730 -0.931 -0.445 -0.129 0.089 0.243 0.354 *B672 selenium 0.437 0.498 0.544 0.578 0.603 selenium 0.8576406E+01-0.1778809E+04 0.2470177E-04-0.3947933E+04-0.2146426E+01 senarmon 291.50 3 3.000 2-6.000 5 2.00020 senarmon senarmom senarmon SeO2(C) 110.96 3 -3.000 1 2.000 2 1.00035 SeO2(C) 47.318 39.201 32.263 27.649 24.334 21.820 19.837 18.223 *B672 SeO2(C) 16.877 15.733 14.744 13.878 13.109 SeO2(C) 0.2112757E+02 0.1124681E+05-0.7120660E-03 0.7954339E+04-0.4610647E+01 Si(C) 28.09 3 2.000 1-4.000 6 1.00021 Si(C) 82.538 64.164 48.735 38.706 31.672 26.471 22.471 19.302 *B672 Si(C) 16.731 14.603 12.815 11.292 9.979 Si(C) -0.1633928E+02 0.2791923E+05-0.9187077E-04-0.5469017E+05 0.2375637E+01 SiBr4(l) 347.70 3 -4.000 6 4.000 7 1.00021 SiBr4(l) 42.217 34.740 28.301 24.003 20.916 18.580 16.746 15.263 *B674 SiBr4(l) 14.037 13.004 12.121 11.355 10.685 SiBr4(l) 0.2134907E+02 0.1067902E+05 0.2984272E-03-0.6474101E+05-0.5783293E+01 siderite 115.86 4 1.000 2 1.000 3-2.000 5 1.00010 siderite siderite siderite SiO2(V) 60.08 3 2.000 2-4.000 6 1.00021 SiO2(V) 13.594 9.984 6.910 4.883 3.442 2.364 1.524 0.852 B672 SiO2(V) 0.300 -0.161 -0.553 -0.890 -1.183 SiO2(V) -0.1270247E+01 0.5352394E+04 0.4149530E-04-0.2596716E+05-0.1134810E+01 SiS(C) 60.15 4 1.000 1 1.000 4-4.000 6 1.00021 SiS(C) 58.153 44.982 33.880 26.637 21.540 17.760 14.844 12.527 *B689 SiS(C) 10.641 9.077 7.757 6.630 5.655 SiS(C) -0.1069007E+02 0.2008769E+05-0.1545111E-03-0.7153497E+05 0.9373490E+00 SiS2(C) 92.21 3 2.000 4-4.000 6 1.00021 SiS2(C) 44.295 34.539 26.278 20.865 17.040 14.192 11.986 10.227 *B689 SiS2(C) 8.790 7.592 6.578 5.708 4.952 SiS2(C) -0.4824904E+01 0.1492111E+05-0.2396433E-03-0.7854449E+05 0.1183443E-01 silliman 162.05 4 5.000 2-10.00 6 2.00013 1.00021 silliman -15.613 -13.085 -11.067 -9.830 -9.013 -8.445 -8.036 -7.733 *BE88 silliman -7.504 -7.328 -7.190 -7.081 -6.993 silliman 0.1355792E+02-0.4563247E+04 0.3448391E-03 0.5546940E+04-0.5670262E+01 smithson 125.38 4 1.000 2-2.000 5 1.00011 1.000 3 smithson smithson smithson SnBr2(C) 278.50 3 -2.000 5 2.000 7 1.00038 SnBr2(C) -18.368 -12.855 -8.289 -5.374 -3.373 -1.929 -0.852 -0.028 *B674 SnBr2(C) 0.613 1.119 1.520 1.841 2.096 SnBr2(C) 0.8841430E+01-0.8176793E+04-0.1615959E-02-0.2100870E+05 0.3773593E+00 SnCl2(C) 189.60 1 1.00038 SnCl2(C) -13.823 -9.272 -5.514 -3.124 -1.489 -0.314 0.559 1.225 *B674 SnCl2(C) 1.741 2.147 2.468 2.723 2.927 SnCl2(C) 0.1188437E+02-0.6945117E+04-0.1163587E-02-0.8373670E+04-0.7970365E+00 SnCl4(l) 260.50 3 -1.000 1 2.000 5 1.00038 SnCl4(l) -7.402 -2.975 0.489 2.509 3.731 4.466 4.883 5.080 *B674 SnCl4(l) 5.119 5.041 4.873 4.637 4.344 SnCl4(l) 0.2113558E+02-0.7342101E+04-0.6317196E-02-0.6887911E+04-0.7884958E+00 SnF2(C) 156.69 3 -2.000 5 2.000 6 1.00038 SnF2(C) -5.947 -2.850 -0.304 1.302 2.386 3.150 3.705 4.115 *B674 SnF2(C) 4.420 4.647 4.814 4.934 5.017 SnF2(C) 0.9391324E+01-0.4679482E+04-0.1599927E-02-0.6579329E+04 0.3668463E+00 SnS(C) 150.75 3 1.000 4-2.000 5 1.00038 SnS(C) -9.932 -7.319 -5.166 -3.797 -2.860 -2.186 -1.684 -1.301 *B689 SnS(C) -0.998 -0.754 -0.555 -0.392 -0.257 SnS(C) 0.1306955E+02-0.4574065E+04 0.1277924E-03 0.3971508E+05-0.3291449E+01 SnS(l) 150.75 3 1.000 4-2.000 5 1.00038 SnS(l) -7.205 -5.175 -3.577 -2.614 -1.990 -1.565 -1.267 -1.052 *B689 SnS(l) -0.895 -0.780 -0.695 -0.632 -0.587 SnS(l) 0.1670288E+02-0.3592159E+04 0.1125995E-03-0.1511107E+05-0.4737750E+01 Sn2S3(C) 333.56 4 -1.000 1 3.000 4-4.000 5 2.00038 Sn2S3(C) -19.282 -13.504 -8.775 -5.788 -3.751 -2.286 -1.192 -0.350 *B689 Sn2S3(C) 0.313 0.845 1.277 1.634 1.931 Sn2S3(C) 0.2484054E+02-0.9207438E+04 0.8885809E-05-0.2037239E+05-0.5259426E+01 sodalite 969.19 6 -6.000 5-42.00 6 8.000 8 6.00013 6.00021 24.00 2 sodalite sodalite sodalite spessart 495.03 6 12.00 2 2.00013 3.00028 3.00021 -6.00 5-18.00 6 spessart spessart spessart sphaleri 97.44 3 1.000 4 1.00011-2.000 5 sphaleri -15.278 -11.739 -8.790 -6.890 -5.569 -4.601 -3.863 -3.283 *B689 sphaleri -2.817 -2.435 -2.117 -1.848 -1.619 sphaleri 0.6630776E+01-0.5500515E+04 0.1720559E-04 0.7492594E+04-0.1434428E+01 sphene 196.04 6 5.000 2-2.000 5-8.000 6 1.00021 1.00023 1.00024 sphene -24.314 -20.119 -16.694 -14.536 -13.069 -12.017 -11.233 -10.631 *BE88 sphene -10.157 -9.776 -9.465 -9.207 -8.990 sphene 0.1302945E+02-0.7055740E+04 0.3981415E-03 0.1087587E+05-0.5625206E+01 spinel 142.27 5 4.000 2-2.000 5-6.000 6 2.00013 1.00022 spinel spinel spinel Sr(C) 87.62 3 1.000 1-2.000 5 1.00030 Sr(C) 51.650 41.488 32.948 27.383 23.466 20.556 18.304 16.504 *B672 Sr(C) 15.033 13.808 12.771 11.881 11.108 Sr(C) 0.2821572E+01 0.1478648E+05-0.2878368E-03 0.3292309E+05-0.4241604E+00 SrBr2(C) 247.43 3 -2.000 5 2.000 7 1.00030 SrBr2(C) -52.219 -39.687 -29.213 -22.438 -17.708 -14.229 -11.568 -9.506 *B674 SrBr2(C) -7.878 -6.550 -5.451 -4.529 -3.746 SrBr2(C) 0.1562610E+01-0.1817831E+05-0.2390752E-02-0.2997698E+05 0.3330618E+01 SrCl2(C) 158.53 1 1.00030 SrCl2(C) -51.785 -39.286 -28.832 -22.067 -17.349 -13.884 -11.244 -9.176 *B674 SrCl2(C) -7.529 -6.196 -5.094 -4.169 -3.384 SrCl2(C) 0.5218127E+01-0.1834426E+05-0.2006988E-02-0.1716581E+05 0.2148493E+01 SrF2(C) 125.62 3 -2.000 5 2.000 6 1.00030 SrF2(C) -55.908 -42.505 -31.276 -23.993 -18.899 -15.146 -12.274 -10.014 *B674 SrF2(C) -8.195 -6.705 -5.468 -4.428 -3.546 SrF2(C) 0.3423181E+01-0.1941634E+05-0.1640978E-02-0.4206600E+05 0.2729511E+01 SrO(C) 103.62 3 1.000 2-2.000 5 1.00030 SrO(C) -6.513 -4.413 -2.689 -1.598 -0.856 -0.324 0.072 0.375 *B672 SrO(C) 0.611 0.799 0.950 1.073 1.174 SrO(C) 0.9938298E+01-0.3460586E+04-0.9151575E-04 0.8080434E+04-0.1983495E+01 SrS(C) 119.68 3 1.000 4-2.000 5 1.00030 SrS(C) -23.750 -18.158 -13.502 -10.501 -8.413 -6.882 -5.713 -4.795 B689 SrS(C) -4.055 -3.449 -2.944 -2.517 -2.152 SrS(C) 0.9096728E+01-0.8515082E+04-0.4749438E-04-0.5165521E+04-0.1703291E+01 SrSiO3 163.70 5 3.000 2-2.000 5-4.000 6 1.00021 1.00030 SrSiO3 -17.101 -13.701 -10.923 -9.171 -7.978 -7.122 -6.484 -5.994 B677 SrSiO3 -5.608 -5.300 -5.049 -4.842 -4.671 SrSiO3 0.9791062E+01-0.5469766E+04 0.4735441E-04-0.1018729E+05-0.3413237E+01 Sr2SiO4 267.32 5 4.000 2-4.000 5-4.000 6 1.00021 2.00030 Sr2SiO4 -37.840 -29.506 -22.632 -18.258 -15.255 -13.082 -11.449 -10.185 B677 Sr2SiO4 -9.184 -8.377 -7.715 -7.167 -6.707 Sr2SiO4 0.2262791E+02-0.1336619E+05-0.5855901E-04 0.1261220E+05-0.6369911E+01 stibnite 339.68 3 3.000 4 2.00020-6.000 5 stibnite -1.498 -1.325 -1.264 -1.282 -1.336 -1.406 -1.486 -1.570 *B689 stibnite -1.656 -1.743 -1.831 -1.918 -2.006 stibnite 0.2807815E+01-0.1975438E+03-0.6482488E-03-0.4968912E+05-0.1168336E+01 stilbite 704.72 6 -2.000 5-34.00 6 1.00023 7.00021 2.00013 25.00 2 stilbite stilbite stilbite stilp-Fe 1077.99 7 -10.50 5-38.00 6 0.500 9 5.00010 8.00021 2.00013 30.50 2 stilp-Fe stilp-Fe stilp-Fe stilp-Mg 920.29 7 -10.50 5-38.00 6 0.500 9 5.00022 8.00021 2.00013 30.50 2 stilp-Mg stilp-Mg stilp-Mg stishovi 60.08 3 2.000 2-4.000 6 1.00021 stishovi stishovi stishovi strontia 147.63 4 1.000 2-2.000 5 1.000 3 1.00030 strontia strontia strontia sudoite 536.86 6 -4.000 5-24.00 6 2.00022 4.00013 3.00021 18.00 2 sudoite sudoite sudoite sudoi-Fe 599.93 6 -4.000 5-24.00 6 2.00010 4.00013 3.00021 18.00 2 sudoi-Fe sudoi-Fe sudoi-Fe sylvite 74.55 1 1.000 9 sylvite -30.828 -23.008 -16.477 -12.257 -9.317 -7.157 -5.510 -4.217 *B674 sylvite -3.178 -2.329 -1.624 -1.032 -0.530 sylvite 0.9866031E+01-0.1168529E+05-0.6105747E-03-0.8963367E+04-0.4924370E+00 talc 379.27 5 12.000 2-6.000 5-16.00 6 4.00021 3.00022 talc -46.537 -36.615 -28.519 -23.428 -19.979 -17.517 -15.694 -14.304 *BE88 talc -13.219 -12.358 -11.662 -11.093 -10.623 talc 0.4208517E+02-0.1684826E+05 0.4257282E-03 0.4453989E+05-0.1323140E+02 talc-Fe 473.89 5 12.000 2-6.000 5-16.00 6 4.00021 3.00010 talc-Fe talc-Fe talc-Fe talc-tsc 380.85 6 -4.000 5-18.00 6 2.00022 2.00013 3.00021 12.00 2 talc-tsc talc-tsc talc-tsc talc-prl 360.31 4 -22.00 6 2.00013 4.00021 12.00 2 talc-prl talc-prl talc-prl Te(C) 127.60 2 -1.000 1 1.00036 Te(C) -14.907 -11.424 -8.544 -6.706 -5.440 -4.523 -3.833 -3.298 *B672 Te(C) -2.876 -2.536 -2.259 -2.031 -1.842 Te(C) 0.6245675E+01-0.5325708E+04-0.3677677E-03-0.1017689E+05-0.1239106E+01 TeCl4(C) 269.41 3 -3.000 1 1.00036 4.000 5 TeCl4(C) 10.539 12.358 13.706 14.451 14.885 15.142 15.292 15.375 *B674 TeCl4(C) 15.413 15.422 15.411 15.386 15.351 TeCl4(C) 0.4671886E+02-0.3961829E+04 0.5341366E-03-0.3539694E+04-0.9299603E+01 TeO2(C) 159.60 3 -3.000 1 2.000 2 1.00036 TeO2(C) 17.825 15.602 13.611 12.221 11.179 10.360 9.693 9.137 *B672 TeO2(C) 8.663 8.254 7.896 7.579 7.296 TeO2(C) 0.2849002E+02 0.2155095E+04 0.5095313E-03 0.2170160E+05-0.7391288E+01 tenorite 79.55 4 -0.500 1 1.000 2-1.000 5 1.00014 tenorite -10.207 -6.801 -3.989 -2.198 -0.969 -0.081 0.587 1.103 *B672 tenorite 1.511 1.839 2.108 2.330 2.516 tenorite 0.1485224E+02-0.5527840E+04-0.4465330E-04 0.1353280E+05-0.2690583E+01 tephroit 201.96 5 4.000 2-4.000 5-4.000 6 1.00021 2.00028 2.0 3 tephroit -12.105 -9.580 -7.530 -6.249 -5.385 -4.772 -4.320 -3.978 *RO78 tephroit -3.712 -3.503 -3.336 -3.202 -3.092 tephroit 0.9781375E+01-0.4167239E+04-0.2138236E-05-0.6078972E+04-0.3168551E+01 Ti(C) 47.88 3 2.000 1-4.000 6 1.00024 Ti(C) 72.490 56.357 42.823 34.034 27.875 23.322 19.823 17.050 *B672 Ti(C) 14.800 12.936 11.356 10.010 8.850 Ti(C) -0.2498948E+02 0.2524924E+05-0.9776354E-03-0.9941691E+05 0.5739706E+01 TiBr2(C) 207.69 4 1.000 1-4.000 6 2.000 7 1.00024 TiBr2(C) 24.076 19.627 15.849 13.367 11.609 10.297 9.278 8.464 *B674 TiBr2(C) 7.797 7.239 6.765 6.357 6.001 TiBr2(C) 0.1080750E+01 0.6904128E+04-0.2390547E-03-0.5028875E+05 0.1922294E+00 TiBr3(C) 287.59 4 0.500 1-4.000 6 3.000 7 1.00024 TiBr3(C) 8.781 8.080 7.426 6.946 6.563 6.233 5.937 5.660 *B674 TiBr3(C) 5.395 5.137 4.883 4.632 4.381 TiBr3(C)-0.1210618E+02 0.2203823E+04-0.3428120E-02-0.1042082E+06 0.6340806E+01 TiBr4(C) 367.50 3 -4.000 6 4.000 7 1.00024 TiBr4(C) 6.673 7.069 7.273 7.291 7.206 7.057 6.866 6.644 *B674 TiBr4(C) 6.399 6.137 5.861 5.574 5.277 TiBr4(C) 0.3911676E+01-0.3949198E+03-0.3908637E-02-0.4790239E+05 0.2339982E+01 TiCl2(C) 118.79 4 1.000 1 2.000 5-4.000 6 1.00024 TiCl2(C) 24.260 19.757 15.950 13.459 11.699 10.388 9.371 8.559 *B674 TiCl2(C) 7.893 7.336 6.863 6.454 6.097 TiCl2(C)-0.7123786E+00 0.6983256E+04-0.4012757E-03-0.3743242E+05 0.8451092E+00 TiCl3(C) 154.24 4 0.500 1 3.000 5-4.000 6 1.00024 TiCl3(C) 8.052 7.517 7.015 6.655 6.382 6.165 5.987 5.836 *B674 TiCl3(C) 5.707 5.594 5.493 5.402 5.320 TiCl3(C) 0.7432560E+01 0.9186955E+03-0.1610137E-03-0.4242444E+05-0.7826429E+00 TiCl4(l) 189.69 3 4.000 5-4.000 6 1.00024 TiCl4(l) 10.099 9.205 8.319 7.647 7.112 6.669 6.294 5.969 *B674 TiCl4(l) 5.682 5.426 5.195 4.985 4.792 TiCl4(l) 0.1958069E+02 0.8878230E+03-0.4693470E-04-0.4395375E+05-0.4829804E+01 TiF3(C) 104.88 3 0.500 1-1.000 6 1.00024 TiF3(C) -21.367 -15.851 -11.257 -8.291 -6.224 -4.705 -3.546 -2.636 *B674 TiF3(C) -1.906 -1.309 -0.814 -0.399 -0.049 TiF3(C) 0.2850350E+01-0.7787008E+04-0.7127787E-03-0.5245905E+05 0.1092407E+01 TiF4(C) 123.87 1 1.00024 TiF4(C) -7.683 -4.277 -1.497 0.244 1.413 2.235 2.832 3.274 *B674 TiF4(C) 3.605 3.855 4.042 4.182 4.284 TiF4(C) 0.1576543E+02-0.5453351E+04-0.1080812E-02-0.2853369E+03-0.1952916E+01 TiS(C) 79.94 4 1.000 1 1.000 4-4.000 6 1.00024 TiS(C) 29.785 22.731 16.785 12.909 10.186 8.170 6.619 5.389 B689 TiS(C) 4.390 3.564 2.870 2.278 1.768 TiS(C) -0.8754932E+01 0.1094354E+05-0.3526172E-04-0.5616149E+05 0.1001203E+01 TiS2(C) 112.00 3 2.000 4-4.000 6 1.00024 TiS2(C) 13.756 10.467 7.648 5.780 4.449 3.449 2.670 2.045 *B689 TiS2(C) 1.530 1.100 0.733 0.416 0.140 TiS2(C) -0.1228726E+01 0.5122051E+04-0.8081109E-04-0.5666870E+05-0.6196020E+00 Ti2O3(C) 143.76 4 1.000 1 3.000 2-8.000 6 2.00024 Ti2O3(C) 13.903 9.600 5.904 3.414 1.620 0.259 -0.813 -1.682 B672 Ti2O3(C) -2.404 -3.013 -3.535 -3.989 -4.387 Ti2O3(C) 0.7414159E+01 0.5705765E+04 0.4199741E-03-0.4661271E+04-0.5141513E+01 Ti3O5(C) 223.64 4 1.000 1 5.000 2-12.00 6 3.00024 Ti3O5(C) 11.667 7.212 3.250 0.412 -1.631 -3.175 -4.386 -5.364 B672 Ti3O5(C) -6.172 -6.853 -7.437 -7.944 -8.389 Ti3O5(C)-0.1939210E+02 0.9726135E+04-0.4367777E-03-0.4944494E+06 0.1666030E+01 Ti4O7(C) 303.52 4 1.000 1 7.000 2-16.00 6 4.00024 Ti4O7(C) 7.976 3.508 -0.406 -3.060 -4.992 -6.471 -7.646 -8.606 B672 Ti4O7(C) -9.409 -10.092 -10.683 -11.200 -11.658 Ti4O7(C)-0.1708464E+01 0.6514640E+04-0.4503627E-04-0.8996973E+05-0.4502134E+01 tilleyit 488.58 6 9.000 2-10.00 5-8.000 6 5.00023 2.00021 2.000 3 tilleyit tilleyit tilleyit Tin 118.69 3 1.000 1-2.000 5 1.00038 Tin 2.937 2.466 2.065 1.797 1.603 1.451 1.326 1.220 *B672 Tin 1.127 1.042 0.964 0.891 0.821 Tin -0.3010871E+01 0.8935390E+03-0.6694652E-03-0.1275276E+05 0.1331207E+01 tremolit 812.37 6 24.000 2-14.00 5-32.00 6 8.00021 5.00022 2.00023 tremolit-123.606 -98.661 -78.176 -65.203 -56.348 -49.982 -45.229 -41.572 *BE88 tremolit -38.693 -36.382 -34.497 -32.937 -31.631 tremolit 0.8791283E+02-0.4210172E+05 0.1271165E-02 0.1674008E+06-0.2932780E+02 tridym-a 60.08 3 2.000 2-4.000 6 1.00021 tridym-a 13.010 9.549 6.594 4.642 3.252 2.209 1.396 0.744 *BE88 tridym-a 0.208 -0.239 -0.619 -0.945 -1.228 tridym-a 0.1176282E+01 0.4978008E+04 0.1989864E-03-0.1611532E+05-0.1915761E+01 tridym-b 60.08 3 2.000 2-4.000 6 1.00021 tridym-b 13.042 9.557 6.590 4.631 3.237 2.190 1.375 0.720 *BE88 tridym-b 0.183 -0.266 -0.647 -0.975 -1.259 tridym-b 0.2286628E+01 0.4861648E+04 0.2546494E-03 0.1220491E+04-0.2279409E+01 troilite 87.91 3 1.000 4-2.000 5 1.00010 troilite -17.776 -13.481 -9.986 -7.796 -6.300 -5.212 -4.385 -3.737 *B689 troilite -3.218 -2.795 -2.444 -2.149 -1.900 troilite 0.5993282E+01-0.5626125E+04 0.3031344E-04-0.1557258E+06-0.1276359E+01 troil-lo 87.91 3 1.000 4-2.000 5 1.00010 troil-lo troil-lo troil-lo tnt-CaSi 176.24 5 -2.000 5-8.000 6 5.000 2 1.00023 2.00021 tnt-CaSi tnt-CaSi tnt-CaSi tschermk 815.54 7 -10.00 5-36.00 6 2.00023 3.00022 6.00021 4.0001324.000 2 tschermk tschermk tschermk ulvospin 223.57 5 4.000 2-4.000 5-4.000 6 2.00010 1.00024 1.0 5 ulvospin -27.549 -21.399 -16.335 -13.120 -10.918 -9.332 -8.144 -7.229 *AN85 ulvospin -6.507 -5.928 -5.456 -5.066 -4.741 ulvospin 0.1982554E+02-0.1008461E+05-0.1628663E-04 0.2537304E+05-0.5589554E+01 V(C) 50.94 3 2.000 1-4.000 5 1.00029 V(C) 19.618 14.130 9.557 6.613 4.568 3.069 1.925 1.025 B672 V(C) 0.298 -0.301 -0.803 -1.230 -1.598 V(C) -0.2067133E+02 0.8984986E+04-0.6129142E-03-0.4606475E+05 0.4386670E+01 valentit 291.50 3 3.000 2-6.000 5 2.00020 valentit 15.860 12.650 9.896 8.060 6.739 5.737 4.947 4.306 *B672 valentit 3.774 3.323 2.935 2.598 2.300 valentit 0.8281933E+01 0.4338564E+04 0.3912275E-04 0.2912897E+04-0.2836195E+01 VCl2(C) 121.85 3 1.000 1-2.000 5 1.00029 VCl2(C) -18.067 -14.167 -10.902 -8.781 -7.296 -6.198 -5.356 -4.691 *B674 VCl2(C) -4.155 -3.714 -3.346 -3.037 -2.774 VCl2(C) -0.3158218E+01-0.5415136E+04-0.5366423E-03-0.3443222E+05 0.1536110E+01 VCl3(C) 157.30 3 0.500 1-1.000 5 1.00029 VCl3(C) -19.961 -14.770 -10.442 -7.651 -5.707 -4.282 -3.195 -2.342 *B674 VCl3(C) -1.657 -1.097 -0.632 -0.242 0.089 VCl3(C) 0.7477143E+01-0.7727462E+04-0.3632762E-03-0.1438166E+05-0.5051981E+00 VF3(C) 107.94 4 0.500 1-4.000 5 3.000 6 1.00029 VF3(C) -50.546 -39.262 -29.812 -23.685 -19.397 -16.232 -13.804 -11.885 *B674 VF3(C) -10.333 -9.052 -7.978 -7.067 -6.285 VF3(C) 0.8978852E+01-0.1691983E+05-0.2065736E-03-0.6494700E+02-0.1096479E+01 VO(C) 66.94 4 1.000 1 1.000 2-4.000 5 1.00029 VO(C) -11.146 -9.966 -8.982 -8.345 -7.900 -7.573 -7.324 -7.130 *B672 VO(C) -6.976 -6.852 -6.752 -6.669 -6.602 VO(C) -0.9734526E+01-0.1404574E+04-0.5108791E-03-0.3003925E+05 0.1531558E+01 VOSO4(C) 163.00 5 -4.000 1 5.000 2 1.000 4-4.000 5 1.00029 VOSO4(C) 20.635 17.860 15.372 13.626 12.308 11.263 10.404 9.679 *B677 VOSO4(C) 9.054 8.507 8.021 7.585 7.189 VOSO4(C) 0.3186987E+02 0.2718403E+04-0.3586244E-04 0.3066225E+05-0.8360193E+01 VOSO4.1W 181.01 5 -4.000 1 6.000 2 1.000 4-4.000 5 1.00029 VOSO4.1W 16.063 15.759 15.296 14.788 14.243 13.670 13.072 12.454 *B677 VOSO4.1W 11.819 11.168 10.505 9.829 9.144 VOSO4.1W 0.9653789E+00 0.6751184E+03-0.8501236E-02-0.4065911E+05 0.6395524E+01 VOSO4.3W 217.04 5 -4.000 1 8.000 2 1.000 4-4.000 5 1.00029 VOSO4.3W 9.093 13.299 16.560 18.398 19.428 19.951 20.132 20.070 *B677 VOSO4.3W 19.829 19.451 18.965 18.393 17.751 VOSO4.3W 0.7490809E+01-0.5881740E+04-0.1250902E-01-0.4267182E+05 0.1032122E+02 VOSO4.5W 253.07 5 -4.000 110.000 2 1.000 4-4.000 5 1.00029 VOSO4.5W 4.705 12.900 19.443 23.332 25.720 27.169 27.987 28.361 *B677 VOSO4.5W 28.407 28.205 27.808 27.257 26.579 VOSO4.5W 0.1269467E+02-0.1169619E+05-0.1711336E-01-0.3606999E+05 0.1485093E+02 VOSO4.6W 271.09 5 -4.000 111.000 2 1.000 4-4.000 5 1.00029 VOSO4.6W 3.372 13.390 21.424 26.230 29.203 31.029 32.084 32.593 *B677 VOSO4.6W 32.700 32.501 32.063 31.435 30.652 VOSO4.6W 0.1027836E+02-0.1421388E+05-0.2071768E-01-0.3120674E+05 0.1911359E+02 V2O3(C) 149.88 4 1.000 1 3.000 2-8.000 5 2.00029 V2O3(C) -41.806 -35.140 -29.587 -26.004 -23.509 -21.677 -20.280 -19.184 *B672 V2O3(C) -18.303 -17.584 -16.987 -16.487 -16.063 V2O3(C) -0.9650715E+01-0.9648587E+04-0.6710854E-03-0.4344651E+05 0.3617207E+00 V2O4(C) 165.88 3 4.000 2-8.000 5 2.00029 V2O4(C) -31.535 -26.503 -22.520 -19.987 -18.248 -16.989 -16.043 -15.311 *B672 V2O4(C) -14.731 -14.265 -13.884 -13.570 -13.308 V2O4(C) -0.3016683E+02-0.4231215E+04-0.2030598E-02-0.3957047E+06 0.7227487E+01 V2O5(C) 181.88 4 -1.000 1 5.000 2-8.000 5 2.00029 V2O5(C) -9.187 -8.209 -7.473 -7.060 -6.817 -6.674 -6.594 -6.556 *B672 V2O5(C) -6.548 -6.560 -6.587 -6.626 -6.673 V2O5(C) 0.1994340E+01-0.1681472E+04-0.6971062E-03-0.2367779E+05-0.2047918E+01 V2S3(C) 198.06 4 1.000 1 3.000 4-8.000 5 2.00029 V2S3(C) -33.423 -28.200 -23.828 -20.996 -19.020 -17.571 -16.468 -15.607 *B689 V2S3(C) -14.922 -14.367 -13.914 -13.540 -13.230 V2S3(C) -0.1560487E+02-0.7245826E+04-0.1412812E-02-0.3820867E+05 0.2964535E+01 W(C) 183.85 3 3.000 1 1.00018-4.000 2 W(C) -13.057 -10.853 -8.904 -7.551 -6.539 -5.743 -5.094 -4.551 B672 W(C) -4.088 -3.687 -3.335 -3.023 -2.745 W(C) -0.2589372E+02-0.1739625E+04-0.5494951E-03-0.7337061E+05 0.7945492E+01 wadei-Si 334.53 5 -2.000 5-16.00 6 2.000 9 4.00021 9.000 2 wadei-Si wadei-Si wadei-Si wadsl-Mg 140.69 5 4.000 2 -4.000 5-4.000 6 2.00022 1.00021 wadsl-Mg wadsl-Mg wadsl-Mg wadsl-Fe 203.77 5 4.000 2 -4.000 5-4.000 6 2.00010 1.00021 wadsl-Fe wadsl-Fe wadsl-Fe wairakit 434.41 6 -2.000 5-22.00 6 1.00023 2.00013 4.00021 14.00 2 wairakit wairakit wairakit walstrom 116.16 5 3.000 2-2.000 5-4.000 6 1.00021 1.00023 walstrom walstrom walstrom WBr5(C) 583.37 4 0.500 1 5.000 7 1.00018-4.000 2 WBr5(C) -13.485 -6.783 -1.218 2.349 4.809 6.590 7.924 8.946 *B674 WBr5(C) 9.743 10.371 10.869 11.264 11.577 WBr5(C) 0.9126579E+01-0.9208447E+04-0.2695226E-02-0.7529080E+05 0.4010665E+01 WBr6(C) 663.27 3 6.000 7 1.00018-4.000 2 WBr6(C) -7.831 -1.320 4.056 7.476 9.815 11.494 12.737 13.679 *B674 WBr6(C) 14.404 14.965 15.401 15.739 15.997 WBr6(C) 0.1757310E+02-0.9129688E+04-0.2820984E-02-0.7324523E+05 0.2781183E+01 WCl2(C) 254.76 4 2.000 1 2.000 5 1.00018-4.000 2 WCl2(C) -18.213 -13.480 -9.469 -6.826 -4.945 -3.534 -2.434 -1.553 *B674 WCl2(C) -0.831 -0.229 0.279 0.713 1.088 WCl2(C) -0.1082674E+02-0.5899918E+04-0.8796531E-03-0.7175611E+05 0.5444268E+01 WCl4(C) 325.66 4 1.000 1 4.000 5 1.00018-4.000 2 WCl4(C) -9.262 -4.516 -0.560 1.994 3.771 5.071 6.057 6.824 *B674 WCl4(C) 7.432 7.921 8.318 8.642 8.908 WCl4(C) 0.4097299E+01-0.6266950E+04-0.1587797E-02-0.7100511E+05 0.3609820E+01 WCl5(C) 361.12 4 0.500 1 5.000 5 1.00018-4.000 2 WCl5(C) 0.010 3.950 7.189 9.233 10.615 11.589 12.293 12.809 *B674 WCl5(C) 13.188 13.464 13.659 13.791 13.871 WCl5(C) 0.8480131E+01-0.5147132E+04-0.3079714E-02-0.7085528E+05 0.4246843E+01 WCl6(C) 396.57 3 6.000 5 1.00018-4.000 2 WCl6(C) 7.289 10.813 13.658 15.164 16.111 16.789 17.294 17.682 *B674 WCl6(C) 17.986 18.230 18.429 18.592 18.727 WCl6(C) 0.5956023E+02-0.5595053E+04 0.2606224E-02-0.2197736E+06-0.1286228E+02 WO2(C) 215.85 3 1.000 1-2.000 2 1.00018 WO2(C) -26.498 -20.589 -15.594 -12.316 -9.992 -8.254 -6.904 -5.822 *B672 WO2(C) -4.936 -4.196 -3.568 -3.030 -2.564 WO2(C) -0.6941232E+01-0.8091474E+04-0.3581309E-03-0.3970526E+05 0.3287799E+01 WO3(C) 231.85 2 -1.000 2 1.00018 WO3(C) -26.799 -20.502 -15.217 -11.778 -9.359 -7.566 -6.182 -5.083 *B672 WO3(C) -4.190 -3.454 -2.833 -2.303 -1.844 WO3(C) 0.9002531E-01-0.8952629E+04-0.3390372E-03-0.3537529E+05 0.1469963E+01 WS2(C) 247.97 4 1.000 1-4.000 2 2.000 4 1.00018 WS2(C) -42.005 -32.811 -25.065 -19.996 -16.410 -13.733 -11.654 -9.990 *B689 WS2(C) -8.625 -7.484 -6.515 -5.681 -4.955 WS2(C) -0.5504254E+01-0.1286641E+05-0.3891730E-04-0.5788500E+05 0.2956688E+01 wollasto 116.16 5 3.000 2-2.000 5-4.000 6 1.00021 1.00023 wollasto -17.642 -14.245 -11.453 -9.683 -8.471 -7.598 -6.943 -6.438 *BE88 wollasto -6.038 -5.715 -5.451 -5.232 -5.047 wollasto 0.9752287E+01-0.5601702E+04 0.1651364E-03 0.1134970E+05-0.3549461E+01 wurtzite 97.44 3 1.000 4 1.00011-2.000 5 1.0 9 wurtzite -13.661 -10.448 -7.775 -6.055 -4.860 -3.986 -3.320 -2.798 *B689 wurtzite -2.378 -2.035 -1.749 -1.509 -1.303 wurtzite 0.6327651E+01-0.4979840E+04 0.3178522E-05 0.3328096E+04-0.1343554E+01 wustite 68.89 4 -0.053 1 1.000 2-1.894 5 0.94710 wustite -8.708 -6.413 -4.527 -3.332 -2.515 -1.927 -1.487 -1.149 *B672 wustite -0.882 -0.669 -0.495 -0.352 -0.233 wustite 0.8771653E+01-0.3719392E+04-0.2733270E-04 0.3021523E+04-0.2033030E+01 Zn(C) 65.38 3 1.000 1-2.000 5 1.00011 Zn(C) 13.838 10.934 8.508 6.935 5.833 5.017 4.387 3.886 *B672 Zn(C) 3.476 3.133 2.842 2.590 2.370 Zn(C) -0.4892135E+01 0.4509465E+04-0.4441740E-03-0.5000350E+04 0.1533240E+01 ZnBr2(C) 225.19 3 2.000 7 1.00011-2.000 5 ZnBr2(C) -22.125 -16.033 -10.935 -7.639 -5.345 -3.664 -2.387 -1.391 *B674 ZnBr2(C) -0.596 0.047 0.575 1.013 1.378 ZnBr2(C) 0.6189033E+01-0.9025637E+04-0.1090177E-02 0.1076092E+03 0.9221927E+00 ZnCl2(C) 136.29 1 1.00011 ZnCl2(C) -17.486 -12.297 -7.972 -5.187 -3.254 -1.843 -0.772 0.063 *B674 ZnCl2(C) 0.729 1.270 1.714 2.084 2.395 ZnCl2(C) 0.1162125E+02-0.7942231E+04-0.5175930E-03 0.7822725E+04-0.9709381E+00 ZnF2(C) 103.38 3 2.000 6 1.00011-2.000 5 ZnF2(C) -14.673 -9.922 -5.956 -3.400 -1.628 -0.335 0.644 1.406 *B674 ZnF2(C) 2.011 2.490 2.879 3.200 3.468 ZnF2(C) 0.4745481E+01-0.6802920E+04-0.1242000E-02-0.2458186E+05 0.1634806E+01 ZnFe2O4 241.07 5 -1.000 1 4.000 2-6.000 5 2.00010 1.00011 ZnFe2O4 -25.320 -17.773 -11.558 -7.615 -4.922 -2.985 -1.540 -0.433 *BA77 ZnFe2O4 0.435 1.126 1.683 2.137 2.509 ZnFe2O4 0.2963813E+02-0.1221381E+05-0.5612352E-03 0.2216881E+05-0.5688124E+01 zincite 81.38 3 1.000 2-2.000 5 1.00011 zincite -2.263 -1.355 -0.612 -0.146 0.168 0.389 0.550 0.671 B672 zincite 0.763 0.833 0.888 0.930 0.963 zincite 0.5769686E+01-0.1593285E+04-0.1072907E-03 0.1186457E+05-0.1127628E+01 ZnSO4(C) 161.44 5 -4.000 1 4.000 2 1.000 4-2.000 5 1.00011 ZnSO4(C) 27.666 24.426 21.576 19.609 18.141 16.983 16.033 15.228 *B677 ZnSO4(C) 14.475 13.789 13.191 12.665 12.199 ZnSO4(C) 0.2431959E+02 0.3631313E+04-0.2110880E-02 0.7208332E+05-0.3641602E+01 ZnSO4.1W 179.45 5 -4.000 1 5.000 2 1.000 4-2.000 5 1.00011 ZnSO4.1W 21.556 21.204 20.683 20.115 19.512 18.880 18.226 17.554 *B677 ZnSO4.1W 16.866 16.165 15.453 14.732 14.003 ZnSO4.1W 0.1280090E+02 0.2125640E+03-0.8500525E-02-0.2713804E+04 0.4286690E+01 ZnSO4.6W 269.53 5 -4.000 110.000 2 1.000 4-2.000 5 1.00011 ZnSO4.6W 12.854 21.730 28.728 32.734 35.001 36.152 36.534 36.360 *B677 ZnSO4.6W 35.767 34.847 33.669 32.279 30.714 ZnSO4.6W-0.4127550E+02-0.1023055E+05-0.3310713E-01-0.1309546E+06 0.4032717E+02 ZnSO4.7W 287.54 5 -4.000 111.000 2 1.000 4-2.000 5 1.00011 ZnSO4.7W 11.245 22.173 30.934 36.171 39.413 41.413 42.583 43.171 *B677 ZnSO4.7W 43.331 43.170 42.759 42.150 41.381 ZnSO4.7W 0.4338655E+02-0.1710945E+05-0.1983142E-01 0.7669812E+05 0.1224272E+02 ZnO.2Z-S 404.25 5 -8.000 1 9.000 2 2.000 4-6.000 5 3.00011 ZnO.2Z-S 58.467 51.538 45.423 41.191 38.031 35.548 33.525 31.831 *B677 ZnO.2Z-S 30.382 29.123 28.014 27.026 26.138 ZnO.2Z-S 0.8583313E+02 0.6363958E+04 0.6486656E-03 0.1688414E+06-0.2053144E+02 zoisite 454.36 6 13.000 2-4.000 5-21.00 6 3.00013 3.00021 2.00023 zoisite -74.974 -59.827 -47.367 -39.453 -34.033 -30.124 -27.194 -24.933 *BE88 zoisite -23.149 -21.713 -20.539 -19.567 -18.752 zoisite 0.4140210E+02-0.2469288E+05 0.1455125E-03 0.4229324E+05-0.1377046E+02 clinozoi 454.36 6 13.000 2-4.000 5-21.00 6 3.00013 3.00021 2.00023 clinozoi -75.386 -60.046 -47.423 -39.404 -33.910 -29.945 -26.973 -24.679 *BE88 clinozoi -22.867 -21.409 -20.216 -19.227 -18.398 clinozoi 0.4216365E+02-0.2499845E+05 0.1587985E-03 0.4403602E+05-0.1384007E+02 CO2(F) 44.01 1 1.000 3 CO2(F) -0.517 1.567 2.688 3.324 3.653 3.766 3.719 3.620 CO2(F) 3.516 3.422 3.341 3.275 3.222 CO2(F) 0.3931900E+00 H2S(F) 34.08 1 1.000 4 H2S(F) -0.517 1.567 2.688 3.324 3.653 3.766 3.719 3.620 H2S(F) 3.516 3.422 3.341 3.275 3.222 H2S(F) -0.6972700E+00 HBr(F) 80.91 1 1.000 7 HBr(F) -0.517 1.567 2.688 3.324 3.653 3.766 3.719 3.620 HBr(F) 3.516 3.422 3.341 3.275 3.222 HBr(F) -0.3167500E+01 HCl(F) 36.46 1 1.000 5 HCl(F) -0.517 1.567 2.688 3.324 3.653 3.766 3.719 3.620 HCl(F) 3.516 3.422 3.341 3.275 3.222 HCl(F) 0.7810000E+00 HF(F) 20.01 1 1.000 6 HF(F) -0.517 1.567 2.688 3.324 3.653 3.766 3.719 3.620 HF(F) 3.516 3.422 3.341 3.275 3.222 HF(F) -0.1065500E+01 H2O(F) 18.02 1 1.000 2 H2O(F) -0.517 1.567 2.688 3.324 3.653 3.766 3.719 3.620 H2O(F) 3.516 3.422 3.341 3.275 3.222 H2O(F) -0.7618628E-01 GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG GG GG GG Gastherm Restore Version 4.0 GG GG GG GG By Robert Symonds (Michigan Technological Univerity) GG GG GG GG GG GG Last Revised: April, 1990 GG GG GG GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG Gastherm.rst is a special version of Gastherm for restoring gases. Because of this, it only contains a limited number of species. A star * as 8th character of a name means that data is not very good A non blank character ($) in the 16th column before itot will cause the name to be skipped ======================================================================== Component Molecular Atomic Species Weight Element Weight ************************************************************************ H2 2.0158 H 1.0079 1 H2O 18.0152 O 15.9994 2 CO2 44.0098 C 12.011 3 H2S(g) 34.0758 S 32.06 4 HCl 36.4609 Cl 35.453 5 HF 20.0063 F 18.9984 6 HBr 80.9119 Br 79.904 7 NaCl 58.4428 Na 22.9898 8 KCl 74.5513 K 39.0983 9 FeCl2 126.753 Fe 55.847 10 ZnCl2 136.286 Zn 65.38 11 Cd 112.4100 Cd 112.41 12 AlF3 83.9767 Al 26.9815 13 CuCl 98.999 Cu 63.546 14 BiCl3 315.3394 Bi 208.9804 15 PbCl2 278.1060 Pb 207.2 16 H2MoO4 161.9534 Mo 95.94 17 H2WO4 249.8634 W 183.85 18 AsCl3 181.2806 As 74.9216 19 SbCl3 228.109 Sb 121.75 20 SiF4 104.0791 Si 28.0855 21 MgCl2 95.2110 Mg 24.305 22 CaCl2 110.9860 Ca 40.08 23 TiF4 123.8736 Ti 47.88 24 CrCl4 193.8080 Cr 51.996 25 CoCl2:Co 129.8392 Co 58.9332 26 NiCl2 129.5960 Ni 58.69 27 MnCl2 125.8440 Mn 54.9380 28 VCl4 192.7535 V 50.9415 29 SrCl2 158.5260 Sr 87.62 30 GaCl3 176.0790 Ga 69.72 31 LiCl 42.3940 Li 6.941 32 RbCl 120.9208 Rb 85.4678 33 CsCl 168.3584 Cs 132.9054 34 H2Se 80.9758 Se 78.96 35 H2Te 129.6158 Te 127.60 36 N2 28.0134 N 14.0067 37 SnCl2 189.5960 Sn 118.69 38 AgCl 143.3210 Ag 107.868 39 Au 196.9665 Au 196.9665 40 Hg 200.59 Hg 200.59 41 Ir 192.22 Ir 192.22 42 O2 3 -2.000 1 2.000 2 O2 80.092 63.038 48.659 39.260 32.628 27.695 23.879 20.838 B672 O2 18.356 16.293 14.550 13.057 11.765 O2 0.4413789E+01 0.2484154E+05 0.3258344E-03 0.6035634E+04-0.3154572E+01 CH4 4 4.000 1-2.000 2 1.000 3 CH4 -19.891 -14.023 -8.967 -5.587 -3.155 -1.314 0.129 1.293 B677 CH4 2.251 3.054 3.737 4.324 4.833 CH4 -0.1286940E+02-0.7731752E+04-0.1100509E-02 0.4447266E+04 0.7754935E+01 Co 4 1.000 1 1.000 3-1.000 2 Co 5.017 3.573 2.377 1.616 1.094 0.718 0.436 0.218 B672 Co 0.046 -0.093 -0.207 -0.301 -0.380 Co -0.7767921E+01 0.2544542E+04-0.1146851E-03-0.2461906E+05 0.1843518E+01 CoS 4 -1.000 2 1.000 3 1.000 4 CoS 5.314 4.232 3.317 2.718 2.297 1.984 1.743 1.552 B689 CoS 1.397 1.268 1.161 1.070 0.992 CoS 0.4821159E+00 0.1616650E+04 0.8104396E-04-0.5714799E+04-0.2223597E+00 SO2 4 -3.000 1 2.000 2 1.000 4 SO2 33.379 26.044 19.813 15.705 12.784 10.594 8.888 7.521 B672 SO2 6.399 5.461 4.665 3.982 3.388 SO2 0.1027497E+02 0.1018102E+05 0.5087335E-03 0.1531703E+05-0.4593873E+01 S2 3 -2.000 1 2.000 4 S2 25.669 19.666 14.571 11.219 8.841 7.063 5.682 4.579 B672 S2 3.676 2.924 2.289 1.744 1.273 S2 0.4741110E+01 0.8512289E+04 0.4509498E-03-0.1517626E+04-0.3127909E+01