akg2011 ... Enthalpy and entropy: Lemire, R.J. et al. 2013. Chemical Thermodynamics of Iron Part 1, in: Perrone, J. (Ed.). OECD Nuclear Energy Agency, Issy-les-Moulineaux, France, p. 1083. Heat capacity: Snow, C.L., Smith, S.J., Lang, B.E., Shi, Q., Boerio-Goates, J., Woodfield, B.F., Navrotsky, A., 2011. Heat capacity studies of the iron oxyhydroxides akaganéite (b-FeOOH) and lepidocrocite (g-FeOOH). J. Chem Thermodynamics 43, 190-199. Note that heat capacity was measured only to 26.85 C; we extrapolate to 150C. Molar volume: No new data; use goethite. Akinfiev ... Akinfiev N.N. and Zotov A.V., 2001, Thermodynamic description of chloride, hydrosulfide, and hydroxo complexes of Ag(I), Cu(I), and Au(I) at temperatures of 25-500 °C and pressures of 1-2000 bar. Geochem. Int. 39, 990-1006. Bess05 ... Bessinger, Brad, and Apps, John A. The Hydrothermal Chemistry of Gold, Arsenic, Antimony, Mercury and Silver. Technical Report, U.S. Department of Energy Office of Scientific and Technical Information. https://doi.org/10.2172/840338 https://www.osti.gov/biblio/840338/, https://www.osti.gov/servlets/purl/840338 Includes new data for HS- and H2S. BRGM ... https://thermoddem.brgm.fr/species/kaolinite Diak98a ... Diakonov, I.I., Ragnarsdottir, K.V., Tagirov, B.R., 1998a. Standard thermodynamic properties and heat capacity equations of rare earth hydroxides: II. Ce(III)-, Pr-, Sm-, Eu(III)-, Gd-, Tb-, Dy-, Ho-, Er-, Tm-, Yb-, and Y-hydroxides. Comparison of thermochemical and solubility data. Chem. Geol. 151, 327-347. Molar volume from Milligan et al. (1979).Rare-earth tri-hydroxide paramters. Journal of Applied Crystallography 12, 411-412. Diak98b ... Diakonov, I.I., Tagirov, B.R., Ragnarsdottir, K.V., 1998b. Standard thermodynamic properties and heat capacity equations for rare earth element hydroxides: I. La(OH)3(s) and Nd(OH)3(s). Comparison of thermochemical and solubility data. Radiochimica Acta 81, 107-116. Gysi15 ... Gysi, A.P., Williams-Jones, A.E., 2015. The thermodynamic properties of bastnäsite-Ce and parisite-Ce. Chem. Geol. 392, 87-101. HP2023 ... file tc-ds636.txt from the ThermoCalc web site - https://hpxeosandthermocalc.org/. Original reference: Holland, T.J.B., Powell, R., 2011. An improved and extended internally consistent thermodynamic dataset for phases of petrological interest, involving a new equation of state for solids. J. Metamorph. Geol. 29, 333-383. JA85 ... NIST-JANAF Thermochemical Tables. NIST Standard Reference Database 13. Version 1.0 (1985). Data compiled and evaluated by M.W. Chase, Jr., C.A. Davies, J.R. Downey, Jr., D.J. Frurip, R.A. McDonald, and A.N. Syverud Distributed by Standard Reference Data Program National Institute of Standards and Technology. Gaithersburg, MD 20899. https://janaf.nist.gov/ Janots07 ... Janots, E. et al. Thermochemistry of monazite-(La) and dissakisite-(La): Implications for monazite and allanite stability in metapelites. Contrib. Mineral Petrol. 154, 1-14. jaro25a ... Jarosite-k and -Na. DG, DH, Cp(a-c) and V from BRGM: https://thermoddem.brgm.fr/species/jarositek https://thermoddem.brgm.fr/species/jarositena S(0) from Majzlan, J. et al. (2010) Heat capacity, entropy, and magnetic properties of jarosite-group compounds. Phys Chem Minerals 37:635–651 jaro25 ... Jarosite-K: DH and V from BRGM: As for jaro25a except: Heat Cp(a-d) from regression of data in Majzlan et al. (2010), also above. Jaro-Na: as for Jaro-K but DH from Drouet & Navrotski, GCA 67:2063-2076. Note: BRGM for jaro-K DH shows Drouet & Navrotski, but for jaro-Na uses Stoffregen KKH91 ... Knacke, O., Kubaschewski, O., and Hesselmann, K. (Eds), 1991, Thermochemical properties of inorganic substances, 2nd edition Berlin, Springer-Verlag, 2412 p. Liu05 ... Liu W. and McPhail D. C. (2005) Thermodynamic properties of copper chloride complexes and copper transport in magmatic-hydrothermal solutions. Chem. Geol. 221, 21-39. LSR ... Ruhl L. S. (2008) Thermodynamics of 1:2 Sodium Borate Minerals. Masters thesis. University of Florida. MA07 ... Matschei, Thomas; Lothenbach, Barbara; Glasser, Fredrik P. 2007, Thermodynamic properties of Portland cement hydrates in the system CaO–Al2O3–SiO2–CaSO4–CaCO3–H2O: Cement and Concrete Research, v. 37, n. 10, pp. 1379-1410. Mig09 ... Migdisov, A.A., Williams-Jones, A.E., Wagner, T., 2009. An experimental study of the solubility and speciation of the Rare Earth Elements (III) in fluoride- and chloride-bearing aqueous solutions at temperatures up to 300 °C. Geochim. Cosmochim. Acta 73, 7087–7109. MGC2016 ... Migdisov, A., Williams-Jones, A.E., Brugger, J., Caporuscio, F.A., 2016. Hydrothermal transport, deposition, and fractionation of the REE: Experimental data and thermodynamic calculations. Chem. Geol. 439, 13-42. MR1 .... For bn, cc, cp, GHSV entirely from Robie, Seal and Hemingway, 1994, Can. Min. 32, p.945-956, but original supcrt Cp data kept. Ogor12 ... G, H, S, and Cp: Ogorodova, L.P., Melchakova, L.V., Kiseleva, I.A., Peretyazhko, I.S., 2012. Thermodynamics of natural tourmalines-Dravite and schorl. Thermochimica Acta 539, 1-6. MOLAR VOLUME: Van Hinsberg, V.J., Schumacher, J.C., 2007. Using estimated thermodynamic properties to model accessory phases: the case of tourmaline. J. Metamorph. Geol. 25, 769-779. Enthalpies adjusted slightly (all by <1540 J = 368 cal) to make consistent with data from Holland and Powell. Pkr15 ... Pokrovski, G. S. and J. Dubessy (2015). Stability and abundance of the trisulfur radical ion S3- in hydrothermal fluids." Earth and Planetary Science Letters 411: 298-309. RG97 ... Goodgame,V.Roland. (1997) The distribution and origin of arsenic and platinum group element mineralization in the Mariners nickel deposit, Widgiemooltha, Western Australia. Unpublished Ph.D. thesis, University of Oregon. RH95 ... Robie, R.A., and Hemingway, B.S. (1995). Thermodynamic properties of minerals and related substances at 298.15K and 1 bar (105 pascals) and at higher temperatures. USGS Bulletin 2131: 461 p. Minerals with five heat capacity coefficients re-regressed to have four, as for Holland and Powell. Cp error for dawsonite coeff A3 corrected 2020-02-12. RHF78 ... Robie, R.A. et al. (1978). Thermodynamic properties of minerals and related substances at 298.15K and 1 bar (105 pascals) and at higher temperatures." USGS Bulletin 1452: 456 p. RSH94 ... Robie, R.A., Seal, R.R., and Hemingway, B.S. (1994) Heat capacity and entropy of bornite (Cu5FeS4) between 6 and 760K and the thermodynamic properties of phases in the system Cu-Fe-S. Canadian Mineralogist, 32, 945–956. Sack00 ... Sack, R.O., 2000. Internally consistent database for sulfides and sulfosalts in the system Ag2S-Cu2S-ZnS-Sb2S3-As2S3. Geochim. Cosmochim. Acta 64, 3803-3812. Spear10 ... Spear, F.S., 2010. Monazite–allanite phase relations in metapelites. Chem. Geol. 279, 55-62. Heat capacity for allanite re-regressed to conform to the Holland and Powell heat capacity equation S&P2010 ... Spear, F.S., Pyle, J.M., 2010. Theoretical modeling of monazite growth in a low-Ca metapelite. Chem. Geol. 273, 111-119. ST88 ... DG, DH, Cp, S, V from Stoessell, R.K., 1988. 25°C and 1 atm dissolution experiments of sepiolite and kerolite, GCA 52, 365-374. DG recalculated using old SiO2,aq and new H4SiO4,aq, so that log K at STP is unchanged. Since Supcrt uses DH and S instead of DG, also recalculate DH using S, S-elements, and DG. Stef01 ... Stefánsson, A. (2001). Dissolution of primary minerals of basalt in natural waters I. Calculation of mineral solubilities from 0°C to 350°C." Chemical Geology 172: 225-250. (H4SiO4 only.) AQUEOUS H4SiO4, replacing SiO2(aq). TS01 ... Tagirov, B., Schott, J., 2001. Aluminum speciation in crustal fluids revisited. Geochim. Cosmochim. Acta 65, 3965-3992. Revised and expanded data set for aqueous species, including fluorides. Not yet implemented in SOLTHERM late 2025. Not yet in Soltherm. TU14 ... Tutolo, B. M., X.-Z. Kong, et al. (2014). "Internal consistency in aqueous geochemical data revisited: Applications to the aluminum system." Geochimica et Cosmochimica Acta 133: 216-234. WH77Chal ... Chalcedony - Cp, S, V from qaurtz in Holland and Powell 2011. Delta H, G @ 25C adjusted so that the differences between chalcedony and HP2011 quartz are the same as the differences in Walther and Helgeson 1977. ---> Calculation of the thermodynamic properties of aqueous silica and the solubility of quartz and its polymorphs at high pressures and temperatures. Am. J. Sci. 277, 1315-1351. WH77AmSi ... Amorphous silica - Cp, S, V from am-Si in Walther and Helgeson 1977. Delta H, G @ 25C adjusted so that the differences between amorphous silica and HP2011 quartz are the same as the difference in Walther and Helgeson 1977. Wo92 ... WO90:EQ3/6 database from Bill Borcier, LLNL, 1990. Data for U-bearing aqueous species and minerals, smectite clays. XI03 ... Xiong, Yongliang, 2003, Predicted equilibrium constants for solid and aqueous selenium species to 300 C: Applications to selenium-rich mineral deposits; Ore Geology Reviews 23 (2003) 259–276. Antimonselite only. 180 ************************************************************************ minerals that do not undergo phase transitions ************************************************************************ kaolinite_BRGM Al2Si2O9H4 kao Al(2)Si(2)O(9)H(4) BRGM 31.DEC.11 -906772.2 -983580.3 48.016 99.340 66.247610 31.171128 -15.444551 0.0 1000.00 quartzRH SiO2 q Si(1)O(2) RH95 08.DEC.97 -204660.5 -217662.5 9.919 22.690 15.774895 7.477904 -0.897776 -109.445320 844.00 sulfur,mono S,mono sulfur,mono S(1) JA85 31.DEC.2023 16.7 86.0 7.894 15.510 2.828769 5.241992 -0.416470 28.145085 1000.00 sulfur,monoH0 S,mono sulfur,monoH0 S(1) JA85 31.DEC.2023 0.0 0.0 7.894 15.510 2.828769 5.241992 -0.416470 28.145085 1000.00 sulfur,monoE7.6 S,mono sulfur,monoE7.6 S(1) JA85 31.DEC.2023 16.7 86.0 7.660 15.510 2.828769 5.241992 -0.416470 28.145085 1000.00 sulfur,liq S,liq sulfur,liq S(1) JA85 31.DEC.2023 103.3 443.1 8.801 17.810 -560.166512 967.660516 289.262734 0.000000 1000.00 sulfur,liqH0 S,liq sulfur,liqH0 S(1) JA85 31.DEC.2023 0.0 0.0 8.801 17.810 -560.166512 967.660516 289.262734 0.000000 1000.00 sulfur,liqE7.6 S,liq sulfur,liqE7.6 S(1) JA85 31.DEC.2023 103.3 443.1 7.660 17.810 -560.166512 967.660516 289.262734 0.000000 1000.00 sulfur,liqE10 S,liq sulfur,liqE10 S(1) JA85 31.DEC.2023 103.3 443.1 10.483 17.810 -560.166512 967.660516 289.262734 0.000000 1000.00 hydroxyapatite Ca5(PO4)3(OH) apat-hyd Ca(5)P(3)O(13)H(1) RH95 05.MAY.09 -1514603.3 -1610540.2 93.308 159.6 92.686424 28.346080 -30.353728 432.839388 1000.00 fluorapatite Ca5(PO4)3F apat-F Ca(5)P(3)O(12)F RH95 05.MAY.09 -1551075.5 -1642447.4 92.710 157.56 180.282027 -7.232314 -2.171128 -1482.074570 1000.00 hydroxyapatite-zs Ca5(PO4)3(OH) apat-hyd Ca(5)P(3)O(13)H(1) ZS91 21.APR.17 -1505187.0 -1600069.0 95.300 158.223 189.889797 -2.556609 7.521215 -1759.411194 1000.00 fluorapatite-zs Ca5(PO4)3F apat-F Ca(5)P(3)O(12)F ZS91 21.APR.17 -1539926.0 -1630843.0 92.700 157.532 145.627920 4.259742 -12.531612 -732.952879 1000.00 chlorapatite-zs Ca5(PO4)3Cl apat-F Ca(5)P(3)O(12)Cl ZS91 21.APR.17 -1486000.0 -1576783.0 95.580 164.025 145.526336 3.939509 -11.589528 -735.820851 1000.00 topaz Al2SiO4F2 topaz Al(2)Si(1)O(4)F(2) RH95 15.FEB.10 -695650.1 -737213.2 25.191 51.530 112.667304 -19.514818 3.035373 -1311.185468 1000.00 hydrogarnet Ca3Al2(OH)12 C3AH6 Ca(3)Al(2)O(12)H(12) MA07 30.JUN.08 -1197442.6 -1324091.8 100.143 150.000 69.789675 134.082218 0.000000 0.000000 1000.00 hydrogarnet-Si Ca3Al2(SiO4)0.8(OH)8.8 C3AS0.8H4.4 Ca(3)Al(2)Si(0.8)O(12)H(8.8) MA07 30.JUN.08 -1282982.8 -1399378.6 88.193 143.000 26.051625 150.812620 -4.660612 611.854685 1000.00 ettringite Ca6Al2(SO4)3(OH)12(H2O)26 C6AsH32 Ca(6)Al(2)S(3)O(50)H(64) MA07 30.JUN.08 -3634297.3 -4190965.6 454.111 707.000 463.432122 188.575526 0.000000 0.000000 1000.00 tricarboaluminate Ca6Al2(CO3)3(OH)12(H2O)26 C6AcH32 Ca(6)Al(2)C(3)O(47)H(64) MA07 30.JUN.08 -3481262.0 -4013384.3 444.073 650.000 488.049713 133.604207 -18.594646 0.000000 1000.00 monosulfoaluminate Ca4Al2(SO4)(OH)12(H2O)6 C4AsH12 Ca(4)Al(2)S(1)O(22)H(24) MA07 30.JUN.08 -1859106.1 -2091300.2 196.224 309.000 141.969407 279.158700 0.000000 0.000000 1000.00 monocarboaluminate Ca4Al2(CO3)(OH)12(H2O)5 C4AcH11 Ca(4)Al(2)C(1)O(20)H(22) MA07 30.JUN.08 -1753704.6 -1971797.3 157.027 262.000 147.705545 234.703633 -6.190249 0.000000 1000.00 hemicarboaluminate Ca4Al2(CO3)0.5(OH)13(H2O)5.5 C4Ac0.5H12 Ca(4)Al(2)C(0.5)O(20)H(24) MA07 30.JUN.08 -1753346.1 -1976577.4 170.411 285.000 158.699809 242.351816 -3.107075 -191.204589 1000.00 C4AH13 Ca4Al2(OH)14(H2O)6 C4AH13 Ca(4)Al(2)O(20)H(26) MA07 30.JUN.08 -1751099.4 -1984225.6 167.304 274.000 169.933078 250.239006 0.000000 -382.409178 1000.00 C2AH8 Ca2Al2(OH)10(H2O)3 C2AH8 Ca(2)Al(2)O(13)H(16) MA07 30.JUN.08 -1150286.8 -1298518.2 105.163 184.000 93.690249 170.650096 0.000000 -191.204589 1000.00 stratlingite Ca2Al2SiO2(OH)10(H2O)3 C2ASH8 Ca(2)Al(2)Si(1)O(15)H(16) MA07 30.JUN.08 -1363551.6 -1520076.5 130.497 216.000 104.684512 179.015296 -2.700765 -191.204589 1000.00 jennite Ca1.667SiO2(OH)3.333(H2O)0.430 C1.67SH2.1 Ca(1.667)Si(1)O(5.763)H(4.193) MA07 30.JUN.08 -592925.4 -650812.6 33.461 78.000 50.191205 28.680688 -7.337476 0.000000 1000.00 tobermorite Ca0.833SiO2(OH)1.667(H2O)0.5 C0.83SH1.3 Ca(0.833)Si(1)O(4.167)H(2.667) MA07 30.JUN.08 -416921.6 -457935.0 19.120 59.000 20.315488 38.240918 0.000000 0.000000 1000.00 alite Ca3SiO5 C3S Ca(3)Si(1)O(5) MA07 30.JUN.08 -665463.7 -700525.8 40.392 73.000 49.952199 8.604207 -10.157744 0.000000 1000.00 belite Ca2SiO4 b-C2S Ca(2)Si(1)O(4) MA07 30.JUN.08 -524187.4 -551625.2 30.593 52.000 36.328872 8.843212 -7.241874 0.000000 1000.00 C3A Ca3Al2O6 C3A Ca(3)Al(2)O(6) MA07 30.JUN.08 -808389.1 -851099.4 48.996 89.000 62.380497 4.541109 -12.093690 0.000000 1000.00 C4AF Ca4Al2Fe2O10 C4AF Ca(4)Al(2)Fe(2)O(10) MA07 30.JUN.08 -1144001.0 -1214149.1 77.916 130.000 89.388145 17.447419 0.000000 0.000000 1000.00 CAH10 CaAl2(OH)8(H2O)6 CAH10 Ca(1)Al(2)O(14)H(20) MA07 30.JUN.08 -1104780.1 -1271510.5 119.742 194.000 36.089866 266.013384 0.000000 764.818356 1000.00 silica-am-MA07 SiO2 Si-am Si(1)O(2) MA07 30.JUN.08 -202892.0 -215822.2 9.799 29.000 11.233270 8.126195 -2.700765 0.000000 1000.00 gypsum-MA07 CaSO4(H2O)2 gyps Ca(1)S(1)O(6)H(4) MA07 30.JUN.08 -429684.5 -483508.6 46.367 75.000 21.749522 76.003824 0.000000 0.000000 1000.00 anhydrite-MA07 CaSO4 anh Ca(1)S(1)O(4) MA07 30.JUN.08 -315989.5 -342973.2 25.574 46.000 16.730402 23.661568 0.000000 0.000000 1000.00 portlandite-MA07 Ca(OH)2 prtl Ca(1)O(2)H(2) MA07 30.JUN.08 -214388.1 -235420.7 19.837 33.000 44.694073 -5.258126 0.000000 -382.409178 1000.00 lime-MA07 CaO lime Ca(1)O(1) MA07 30.JUN.08 -144359.5 -151768.6 9.321 17.000 11.711281 0.956023 -1.560707 0.000000 1000.00 calcite-MA07 CaCO3 cc Ca(1)C(1)O MA07 30.JUN.08 -269885.3 -288479.9 22.228 37.000 25.095602 5.258126 -6.190249 0.000000 1000.00 gibbsite-MA07 Al(OH)3 gbs Al(1)O(3)H(3) MA07 30.JUN.08 -275095.6 -308078.4 16.730 32.000 8.604207 45.650096 0.000000 0.000000 1000.00 gibbsite-TU14 Al(OH)3 gbs Al(1)O(3)H(3) TU14 11.FEB.20 -276030.0 -309060.0 17.800 32.000 8.604207 45.600000 0.000000 0.000000 1000.00 fluorphlogopite KMg3(AlSi3)O10F2 phlogo-F K(1)Mg(3)Al(1)Si(3)O(10)F(2) RHF78 22.OCT.96 -1446803.1 -1527935.0 80.378 146.370 117.798572 11.735899 -15.771272 -374.952199 1000.00 cerium Ce Ce Ce(1) RH95 12.Feb.15 0.0 0.0 17.208 20.770 3.350143 4.610899 -0.258174 34.581740 999.00 cerianite CeO2 cer Ce(1)O(2)) RH95 12.Feb.15 -245076.5 -260205.5 14.890 23.850 19.189771 1.362189 -1.743308 -50.167304 1800.00 Ce2O3(s) Ce2O3 Ce2O3(s) Ce(2)O(3) RHF78 1.Nov.14 -408207.5 -429302.1 35.999 47.750 31.228489 4.855402 -4.075765 0.000000 1000.00 dysprosium Dy Dy Dy(1) RHF78 1.Nov.14 0.0 0.0 17.899 19.010 -3.786284 5.497495 -1.970421 191.128258 1657.00 Dy2O3(s) Dy2O3 Dy2O3(s) Dy(2)O(3) RHF78 1.Nov.14 -423371.2 -445298.8 35.801 45.683 9.140296 8.893403 -11.503585 480.975143 1590.00 erbium Er Er Er(1) RHF78 1.Nov.14 0.0 0.0 17.490 18.449 2.135772 3.128940 -0.776977 77.841421 1795.00 Er2O3(s) Er2O3 Er2O3(s) Er(2)O(3) RHF78 1.Nov.14 -432332.5 -453599.4 37.199 44.171 39.084608 0.016595 3.822180 -261.878585 1800.00 europium Eu Eu Eu(1) RHF78 1.Nov.14 0.0 0.0 19.309 28.970 -4.779432 7.656514 -2.118960 195.994893 1090.00 EuO(s) EuO EuO Eu(1)O(1) RHF78 1.Nov.14 -132906.8 -141501.0 15.000 20.475 11.262906 1.649450 -0.093874 0.000000 1800.00 Eu2O3(s) Eu2O3 Eu2O3 Eu(2)O(3) RHF78 1.Nov.14 -371691.7 -394698.9 35.000 44.020 35.138623 0.000000 -6.655354 0.000000 895.00 gadolinium Gd Gd Gd(1) RHF78 1.Nov.14 0.0 0.0 16.360 19.890 -1.901846 3.039467 -2.602233 175.607289 1533.00 Gd2O3(s) Gd2O3 Gd2O3 Gd(2)O(3) RHF78 1.Nov.14 -414038.7 -434899.6 36.300 43.400 28.501434 3.246893 -1.158843 -34.299713 1800.00 holmium Ho Ho Ho(1) RHF78 1.Nov.14 0.0 0.0 17.930 18.740 -7.332527 6.788035 -3.243448 266.497486 1731.00 Ho2O3(s) Ho2O3 Ho2O3 Ho(2)O(3) RHF78 1.Nov.14 -428148.4 -449498.1 37.801 44.900 17.720124 5.489006 -8.938576 280.401530 1800.00 lanthanum La La La(1) RHF78 1.Nov.14 0.0 0.0 13.599 22.470 -7.719663 7.973901 -2.517304 252.966192 1134.00 La2O3(s) La2O3 La2O3 La(2)O(3) RHF78 1.Nov.14 -407734.9 -428699.8 30.430 49.560 31.314532 2.527725 -2.689293 -55.970363 1800.00 lutetium Lu Lu Lu(1) RHF78 1.Nov.14 0.0 0.0 12.180 17.770 -1.012674 4.216093 -1.266499 130.820119 1800.00 Lu2O3(s) Lu2O3 Lu2O3 Lu(2)O(3) RHF78 1.Nov.14 -427545.2 -448900.6 26.281 42.220 35.145793 0.000000 -4.194073 -127.612333 1800.00 neodymium Nd Nd Md(1) RHF78 1.Nov.14 0.0 0.0 16.991 20.570 -3.604292 8.773871 -1.317620 155.912814 1128.00 Nd2O3(s) Nd2O3 Nd2O3 Nd(2)O(3) RHF78 1.Nov.14 -411340.3 -432100.9 37.899 45.920 27.662524 7.117352 -2.840105 0.000000 1395.00 praseodymium Pr Pr Pr(1) RHF78 1.Nov.14 0.0 0.0 17.670 20.800 0.000000 7.000717 -0.342376 83.871893 1068.00 PrO1.833(s) PrO1.833 PrO1.833 PrO(1.833) RHF78 1.Nov.14 -429400.1 -455200.8 19.099 24.600 15.110852 9.920851 0.443192 -48.894728 1100.00 Pr2O3(s) Pr2O3 Pr2O3 Pr(2)O(3) RHF78 1.Nov.14 -411334.8 -432500.0 37.899 46.530 33.090344 4.986616 -0.157029 -97.074570 1800.00 scandium Sc Sc Sc(1) RHF78 1.Nov.14 0.0 0.0 8.279 15.038 1.042562 3.732641 -1.015700 87.552754 1608.00 Sc2O3(s) Sc2O3 Sc2O3 Sc(2)O(3) RHF78 1.Nov.14 -434840.1 -456218.9 18.401 35.910 46.498566 -2.918738 1.019837 -418.905354 1800.00 samarium Sm Sm Sm(1) RHF78 1.Nov.14 0.0 0.0 16.611 19.980 40.366976 -9.942472 6.430133 -648.614552 1190.00 Sm2O3(s) Sm2O3 Sm2O3 Sm(2)O(3) RHF78 1.Nov.14 -429419.2 -435700.3 36.099 45.040 30.690727 4.910373 -4.499761 0.000000 1195.00 terbium Tb Tb Tb(1) RHF78 1.Nov.14 0.0 0.0 17.519 19.290 4.276769 4.218451 1.222490 0.000000 1560.00 Tb2O3(s) Tb2O3 Tb2O3 Tb(2)O(3) RHF78 1.Nov.14 -424606.4 -445800.7 37.500 46.480 21.185229 7.726099 -4.876434 168.740440 1800.00 thulium Tm Tm Tm(1) RHF78 1.Nov.14 0.0 0.0 17.689 18.126 9.268164 0.948112 1.940535 -91.058795 1600.00 Tm2O3(s) Tm2O3 Tm2O3 Tm(2)O(3) RHF78 1.Nov.14 -428882.9 -451400.6 33.401 43.420 31.221319 0.673781 -3.950287 0.000000 1600.00 ytterbium-lo Yb-lo Yb-lo Yb(1) RHF78 1.Nov.14 0.0 0.0 14.300 24.830 -288.629977 164.134581 -50.546200 5229.472726 553.00 ytterbium-hi Yb-hi Yb-hi Yb(1) RHF78 1.Nov.14 0.0 0.0 14.300 24.830 5.762987 1.701476 0.779518 2.982240 1033.00 Yb2O3(s) Yb2O3 Yb2O3 Yb(2)O(3) RHF78 1.Nov.14 -412725.6 -433699.8 31.800 42.760 32.538241 -0.482170 -4.762906 0.000000 1365.00 yttrium Y Y Y(1) RHF78 1.Nov.14 0.0 0.0 10.619 15.038 5.015535 2.012476 -0.226747 16.386472 1752.00 Y2O3(s) Y2O3 Y2O3 Y(2)O(3) RHF78 1.Nov.14 -434180.0 -455380.0 23.681 44.880 28.934034 2.055903 -4.416826 0.000000 1330.00 Y(OH)3(s) Y(OH)3 Y(OH)3 Y(1)O(3)H(3) Diak98a 02.Feb.18 -319909.2 -351888.1 23.712 36.229 52.740270 0.792394 -0.671360 -449.182869 1000.00 La(OH)3(s) La(OH)3 La(OH)3 La(1)O(3)H(3) Diak98b 02.Feb.18 -306931.2 -338456.0 28.157 42.770 51.272993 0.773184 -0.807522 -389.320217 1000.00 Pr(OH)3(s) Pr(OH)3 Pr(OH)3 Pr(1)O(3)H(3) Diak98a 02.Feb.18 -306142.4 -337906.3 31.477 40.967 51.251309 0.381073 -0.652563 -388.435547 1000.00 Nd(OH)3(s) Nd(OH)3 Nd(OH)3 Nd(1)O(3)H(3) Diak98b 02.Feb.18 -306644.4 -338336.5 31.040 39.430 51.501075 0.605013 -0.425047 -398.625632 1000.00 Eu(OH)3(s) Eu(OH)3 Eu(OH)3 Eu(1)O(3)H(3) Diak98a 02.Feb.18 -282170.2 -315272.5 28.652 38.437 51.186257 4.599578 -0.793798 -385.781538 1000.00 Gd(OH)3(s) Gd(OH)3 Gd(OH)3 Gd(1)O(3)H(3) Diak98a 02.Feb.18 -305019.1 -336735.2 30.265 37.930 52.275271 1.288033 -0.682981 -430.211618 1000.00 Tb(OH)3(s) Tb(OH)3 Tb(OH)3 Tb(1)O(3)H(3) Diak98a 02.Feb.18 -306190.2 -338145.3 30.681 37.356 52.291333 0.794095 -0.282341 -430.866929 1000.00 Ho(OH)3(s) Ho(OH)3 Ho(OH)3 Ho(1)O(3)H(3) Diak98a 02.Feb.18 -310086.0 -342041.1 31.080 36.382 52.568405 2.891080 -0.334840 -442.171043 1000.00 apatite-Ce Ca4Ce(SiO4)(PO4)2OH apat-Ce Ca(4)Ce(1)Si(1)P(2)O(13)H(1) Spear10 31.Aug.15 -1485408.7 -1580332.5 98.308 159.7 92.686424 28.346080 -30.353728 432.839388 1000.00 apatite-Y-F Ca4Y(SiO4)(PO4)2F apat-Y-F Ca(4)Y(1)Si(1)P(2)O(12)F(1) S&P2010 31.Aug.15 -1605899.4 -1696132.9 91.551 156.23 180.282027 -7.241874 -2.171128 -1482.074570 1000.00 apatite-Ce-F Ca4Ce(SiO4)(PO4)2F apat-Ce-F Ca(4)Ce(1)Si(1)P(2)O(12)F(1) S&P2010 31.Aug.15 -1603934.8 -1696132.9 91.551 157.66 180.282027 -7.241874 -2.171128 -1482.074570 1000.00 monazite-Y YPO4 mnz-Y Y(1)P(1)O(4) S&P2010 31.Aug.15 -447385.2 -475071.7 25.643 43.0 18.654398 27.963671 -2.208413 0.000000 1000.00 monazite-La LaPO4 mnz-La La(1)P(1)O(4) ref:Janots07 15.Jan.15 -445960.8 -474593.7 25.478 47.293 24.608 12.667304 -3.423040 623.00 monazite-Ce CePO4 mnz-Ce Ce(1)P(1)O(4) Spear10 31.Aug.15 -442500.7 -470315.5 31.802 45.16 19.801625 29.397706 -2.037882 000.000000 623.00 monazite-La_MGC LaPO4 mnz-La_MGC La(1)P(1)O(4) MGC2016 05.Jul.16 -441808.8 -470297.7 25.884 47.293 28.950765 7.197897 -6.124522 0.000000 623.00 monazite-Ce_MGC CePO4 mnz-Ce_MGC Ce(1)P(1)O(4) MGC2016 05.Jul.16 -440841.3 -469429.9 28.681 46.357 29.925908 6.666826 -5.756453 0.000000 623.00 monazite-Pr_MGC PrPO4 mnz-Pr_MGC Pr(1)P(1)O(4) MGC2016 08.Sep.16 -442154.9 -470794.1 29.446 45.715 29.756214 7.259560 -5.854446 0.000000 623.00 monazite-Nd_MGC NdPO4 mnz-Nd_MGC Nd(1)P(1)O(4) MGC2016 08.Sep.16 -439841.3 -468409.3 29.374 45.139 31.778203 5.387428 -7.411329 0.000000 623.00 monazite-Sm_MGC SmPO4 mnz-Sm_MGC Sm(1)P(1)O(4) MGC2016 08.Sep.16 -438204.8 -466601.8 29.278 44.105 31.818834 5.608987 -7.334369 0.000000 623.00 monazite-Eu_MGC EuPO4 mnz-Eu_MGC Eu(1)P(1)O(4) MGC2016 08.Sep.16 -416131.9 -445491.6 28.011 43.693 32.877629 4.228728 -6.657266 0.000000 623.00 monazite-Gd_MGC GdPO4 mnz-Gd_MGC Gd(1)P(1)O(4) MGC2016 08.Sep.16 -437022.7 -483533.8 29.780 43.303 31.845124 3.057600 -7.402486 0.000000 623.00 xenotime YPO4 xntm Y(1)P(1)O(4) S&P2010 31.Aug.15 -451827.6 -479514.1 25.643 43.0 18.654398 27.963671 -2.208413 0.000000 1000.00 xenotime-Tb_MGC TbPO4 xnt-Tb_MGC Tb(1)P(1)O(4) MGC2016 08.Sep.16 -437636.2 -465109.6 33.007 43.832 31.611075 11.376862 -2.601930 -118.577136 623.00 xenotime-Dy_MGC DyPO4 xnt-Dy_MGC Dy(1)P(1)O(4) MGC2016 08.Sep.16 -436440.7 -464311.1 33.007 43.348 44.335564 0.000000 -7.793977 -179.708413 623.00 xenotime-Er_MGC ErPO4 xnt-Er_MGC Er(1)P(1)O(4) MGC2016 08.Sep.16 -437681.6 -466849.6 27.868 42.373 56.836395 -3.050725 0.365259 -557.715579 623.00 xenotime-Yb_MGC YbPO4 xntm-Yb_MGC Yb(1)P(1)O(4) MGC2016 05.Jul.16 -430454.1 -457350.3 32.003 41.640 54.568911 -1.524826 0.020758 -515.650689 623.00 xenotime-Lu_MGC LuPO4 xntm-Lu_MGC Lu(1)P(1)O(4) MGC2016 05.Jul.16 -436595.1 -472394.5 28.011 41.190 56.630952 -4.254923 0.401230 -551.180444 623.00 xenotime-Y_MGC YPO4 xnt-Y_MGC Y(1)P(1)O(4) MGC2016 08.Sep.16 -441949.8 -469529.4 26.004 43.140 31.757248 4.624809 -8.377785 -8.034182 623.00 allanite CaCeFeAl2(SiO4)3OH aln Ca(1)Ce(1)Fe(1)Al(2)Si(3)O(13)H(1) Spear10 31.Aug.15 -1401818.5 -1506495.9 85.596 142.5 96.385516 34.641491 -12.794120 -178.252390 1000.00 dissakisite-La CaLaMgAl2(SiO4)3OH dsk-La Ca(1)La(1)Mg(1)Al(2)Si(3)O(13)H(1) ref:Janots07 15.Jan.15 -1572347.0 -1667423.5 74.068 137.800 100.838910 33.938815 -22.427820 1000.00 Ag2O Ag2O Ag2O Ag(2)O(1) ref:Bess05 16.Jun.05 -2676.0 -7399.1 29.0 30.0 11.13 15.48 0.0 623.15 altaite PbTe alt Pb(1)Te(1) ref:RG97 13.July.95 -16090.0 -16392.0 26.290 40.600 11.276400 2.686400 -.001265 900.00 antimony Sb Sb Sb(1) ref:Bess05 16.Jun.05 0.0 0.0 10.773 18.18 2.49 5.93 1.88 623.15 antimonselite Sb2Se3 anse Sb(2)Se(3) ref:Xi03 23.Feb.06 -30019.1 -30497.1 50.693 81.700 28.381931 0.005 0.0 888.00 argentite Ag2S argt Ag(2)S(1) ref:Bess05 16.Jun.05 -9450.0 -6152.5 36.0 34.8 21.64 0.0 0.0 623.15 arsenic_old As As As(1) ref:RG97 28.July.95 .0 .0 8.530 13.080 4.970000 .000000 .000000 875.00 arsenic As As As(1) ref:Bess05 16.Jun.05 0.0 0.0 8.39 12.96 5.23 2.22 0.0 623.15 arsenolite As2O3 arsenol As(2)O(3) ref:Bess05 16.Jun.05 -137640.0 -156904.8 25.67 51.12 20.98 17.73 -2.70 623.15 arsenopyrite_old FeAsS arspy Fe(1)As(1)S(1) ref:RG97 6.July.95 -26200.0 -25200.0 25.900 27.140 15.030000 9.700000 .320000 623.00 arsenopyrite FeAsS arspy Fe(1)As(1)S(1) ref:Bess05 16.Jun.05 -30000.0 -28989.3 25.9 26.42 15.03 9.7 0.34 623.15 beidellite-Ca Ca.165Al2.33Si3.67O12H2 Bdl-Ca Ca(.165)Al(2.33)Si(3.67)O(12)H(2) ref:Wo92 -1280909.0 -1370670.5 58.300 129.530 82.191000 37.150000 -18.030000 600.00 beidellite-H H.33Al2.33Si3.67O12H2 Bdl-H H(.33)Al(2.33)Si(3.67)O(12)H(2) ref:Wo92 -1260416.0 -1351116.7 58.700 130.700 81.438000 38.330000 -17.770000 600.00 beidellite-K K.33Al2.33Si3.67O12H2 Bdl-K K(.33)Al(2.33)Si(3.67)O(12)H(2) ref:Wo92 -1281773.0 -1371907.9 60.510 133.730 83.319000 38.400000 -17.920000 600.00 beidellite-Mg Mg.165Al2.33Si3.67O12H2 Bdl-Mg Mg(.165)Al(2.33)Si(3.67)O(12)H(2) ref:Wo92 -1277064.0 -1366900.6 57.700 123.190 81.945000 37.260000 -18.020000 600.00 beidellite-Na Na.33Al2.33Si3.67O12H2 Bdl-Na Na(.33)Al(2.33)Si(3.67)O(12)H(2) ref:Wo92 -1279688.0 -1369780.2 59.620 130.540 83.277000 37.780000 -18.250000 600.00 berthierite FeSb2S4 berth Fe(1)Sb(2)S(4) ref:Bess05 16.Jun.05 -61176.0 -61148.0 58.56 90.6 46.59 0.263 -3.86 623.15 calcium Ca Ca Ca(1) ref:RG97 22.Apr.95 .0 .0 9.945 26.190 3.474900 5.669000 .790980 720.00 chalcedony SiO2 Cha Si(1)O(2) ref:WH77Chal 03.May.23 -204340.8 -217337.5 9.902 22.690 22.203633 -0.153442 -1.708652 -171.152007 848.00 AMORPHOUS-SILICA SiO2*NH2O Amorp-Si Si(1)O(2)H(2N)O(N) ref:WH77AmSi 03.May.23 -202906.3 -214585.3 14.340 29.000 5.930000 47.200000 -22.780000 622.00 claudetite As2O3 clau As(2)O(3) ref:Bess05 16.Jun.05 -137730.0 -156571.4 27.09 47.26 23.86 10.74 -3.44 623.15 cobalt Co Co Co(1) RG97 28.July.95 .0 .0 7.180 6.620 5.810000 .000000 .000000 1000.00 covellite_orig CuS Cv Cu(1)S(1) ref:1 5.May.78 -12612.0 -12500.0 15.900 20.420 10.600000 2.640000 0.000000 1273.00 covellite CuS Cv Cu(1)S(1) ref:Sack00 18,Jul.02 -13189.0 -13043.0 16.073 20.440 10.600000 2.640000 0.000000 1273.00 jarosite-K KFe3(OH)6(SO4)2 jaro-K K(1)Fe(3)S(2)O(14)H(6) ref:Jaro25 31.Nov.20025 -800516.4 -915296.4 102.151 160.260 121.497865 124.395756 1.269139 -1064.094000 650.00 jarosite-Na NaFe3(OH)6(SO4)2 jaro-K Na(1)Fe(3)S(2)O(14)H(6) ref:Jaro25 31.Nov.20025 -772929.5 -904254.3 104.302 154.000 90.587631 169.213503 0.806445 -751.623150 650.00 jarosite-K_a KFe3(OH)6(SO4)2 jaro-K K(1)Fe(3)S(2)O(14)H(6) ref:jaro25a 31.Oct.20025 -789911.3 -915296.4 102.151 160.260 147.440249 23.599426 -47.705545 650.00 jarosite-Na_a NaFe3(OH)6(SO4)2 jaro-Na Na(1)Fe(3)S(2)O(14)H(6) ref:jaro25a 31.Oct.20025 -760807.4 -877892.0 104.302 154.000 147.320746 21.799713 -48.699809 650.00 kotulskite PdTe Kot Pd(1)Te(1) ref:RG97 27.Jul.95 -9159.6 -8995.7 21.410 23.400 11.335000 3.088000 -.000302 900.00 loellingite FeAs2 loel Fe(1)As(2) ref:Bess05 16.Jun.05 -12450.0 -10333.1 30.4 27.51 5.4 7.3 0.0 623.15 millerite NiS mill Ni(1)S(1) ref:RHF78 12.Feb.98 -20600.3 -20283.9 15.801 16.89 9.25 6.400096 .000000 600.00 merenskyite PdTe2 mrnsky Pd(1)Te(2) ref:RG97 13.Jul.95 -14463.0 -15163.0 30.240 36.160 16.870000 4.800000 -.000189 900.00 moncheite PtTe2 Mon Pt(1)Te(2) ref:RG97 27.Jul.95 -12600.0 -14000.0 28.900 45.030 16.870000 4.800000 -.000190 900.00 montmorillonite-Ca Ca.165Mg.33Al1.67Si4O12H2 Montm-Ca Ca(.165)Mg(.33)Al(1.67)Si(4)O(12)H(2) ref:Wo92 -1272340.0 -1361495.0 59.893 133.264 80.180000 39.500000 -16.650000 600.00 montmorillonite-K K.33Mg.33Al1.67Si4O12H2 Montm-K K(.33)Mg(.33)Al(1.67)Si(4)O(12)H(2) ref:Wo92 -1273300.0 -1362827.0 62.103 137.432 84.320000 40.750000 -16.530000 600.00 montmorillonite-Mg Mg.495Al1.67Si4O12H2 Montm-Mg Mg(.495)Al(1.67)Si(4)O(12)H(2) ref:Wo92 -1268590.0 -1357867.0 59.131 133.264 79.940000 39.610000 -16.630000 600.00 montmorillonite-Na Na.33Mg.33Al1.67Si4O12H2 Montm-Na Na(.33)Mg(.33)Al(1.67)Si(4)O(12)H(2) ref:Wo92 -1271210.0 -1360688.0 61.213 137.432 81.270000 40.130000 -16.870000 600.00 montroydite HgO montroy Hg(1)O(1) ref:Bess05 16.Jun.05 -13998.0 -21711.6 16.8 19.32 8.33 7.37 0.0 623.15 niccolite NiAs nicc Ni(1)As(1) ref:RG97 28.Jul.95 -16070.0 -17509.0 10.840 17.650 15.229000 1.544000 -2.054700 900.00 nontronite-Ca Ca.165Fe2Al.33Si3.67O12H2 Nontr-Ca Ca(.165)Fe(2)Al(.33)Si(3.67)O(12)H(2) ref:Wo92 -1079492.0 -1165643.0 66.350 131.100 78.190000 52.930000 -13.200000 600.00 nontronite-Mg Mg.165Fe2Al.33Si3.67O12H2 Nontr-Mg Mg(.165)Fe(2)Al(.33)Si(3.67)O(12)H(2) ref:Wo92 -1075647.0 -1162875.0 65.740 129.760 77.945000 53.040000 -13.190000 600.00 nontronite-H H.33Fe2Al.33Si3.67O12H2 Nontr-H H(.33)Fe(2)Al(.33)Si(3.67)O(12)H(2) ref:Wo92 -1058999.0 -500000.0 66.800 132.270 77.438000 54.110000 -12.940000 600.00 nontronite-K K.33Fe2Al.33Si3.67O12H2 Nontr-K K(.33)Fe(2)Al(.33)Si(3.67)O(12)H(2) ref:Wo92 -1080356.0 -1167879.0 68.570 135.270 79.319000 54.180000 -13.090000 600.00 nontronite-Na Na.33Fe2Al.33Si3.67O12H2 Nontr-Na Na(.33)Fe(2)Al(.33)Si(3.67)O(12)H(2) ref:Wo92 -1078271.0 -1165747.0 67.660 132.110 79.277000 53.560000 -13.420000 600.00 orpiment As2S3 orp As(2)S(3) ref:Bess05 16.Jun.05 -20550.0 -20693.1 39.10 70.5 22.73 13.82 0.605 623.15 pentlandite Fe4.5Ni4.5S8 Pent Fe(4.5)Ni(4.5)S(8) ref:RG97 3.Aug.95 -196226.0 -197473.0 118.030 157.240 86.539390 33.373000 -.000244 900.00 pentlandite1 Fe4.5Ni4.5S8 pent1 Fe(4.5)Ni(4.5)S(8) ref:RG97 3.Aug.95 -196226.0 -200041.0 109.410 157.240 86.539390 33.373000 -.000244 900.00 pentlandite-Co Co9S8 Pec Co(9)S(8) ref:RG97 27.jul.95 -199278.0 -203301.0 112.410 157.380 86.539000 33.373000 -.000244 900.00 pentlandite-FE Fe9S8 Pef Fe(9)S(8) ref:RG97 27.July.9 -218840.0 -222180.0 108.000 151.820 86.539000 33.373000 -.000244 900.00 pentlandite-Fe2 Fe9S8 Pent-Fe2 Fe(9)S(8) ref:RG97 27.Jul.95 -229063.0 -222180.0 142.290 151.820 86.539000 33.373000 -.000244 900.00 pentlandite-Fe3 Fe9S8 Pent-Fe3 Fe(9)S(8) ref:RG97 28.Jul.95 -218840.0 -211957.0 124.700 151.820 86.539000 33.373000 -.000244 900.00 pentlandite-Ni Ni9S8 Pent-Ni Ni(9)S(8) ref:RG97 27.July.95 -172790.0 -177900.0 107.820 156.974 86.539000 33.373000 -.000244 900.00 PtTe PtTe PtTe Pt(1)Te(1) ref:RG97 27.Jul.95 -9300.0 -10000.0 19.400 32.270 11.335000 3.088000 -.000302 900.00 realgar AsS realg As(1)S(1) ref:Bess05 16.Jun.05 -7930.0 -8833.4 12.96 29.8 12.94 -0.0133 1.396 623.15 vysotskite PdS vys Pd(1)S(1) ref:RG97 13.Jul.95 -15938.0 -16892.0 13.490 20.980 9.965324 4.107939 -.729651 900.00 senarmontite Sb2O3 senar Sb(2)O(3) ref:Bess05 16.Jun.05 -151400.0 -171578.9 27.37 52.21 22.53 12.03 -3.179 623.15 sepiolite Mg4Si6O15(OH)2(H2O)2*4H2O Sep Mg(4)Si(6)O(23)H(14) ref:ST88 Stoessell GCA 88+Stefansson H4SiO4 -2211851.0 -2418657.8 146.600 285.600 157.920000 104.300000 -18.680000 800.00 sperrylite PtAs2 Spe Pt(1)As(2) ref:RG97 25.Jul.95 -42200.0 -42200.0 27.000 29.230 .000000 .000000 .000000 900.00 stibnite Sb2S3 stb Sb(2)S3 ref:Bess05 16.Jun.05 -35846.0 -32886.3 43.50 73.414 28.75 3.927 -1.264 623.15 valentite Sb2O3 valent Sb(2)O(3) ref:Bess05 16.Jun.05 -149600.0 -169164.8 29.43 50.01 24.840 10.2 -3.197 623.15 mascagnite (NH4)2SO4 mascagnite N(2)S(1))O(4)H(8) RH95 15.FEB.10 -215941.7 -282672.1 52.701 74.680 24.942639 66.634799 0.000000 0.000000 600.00 nitrate-Mg Mg(NO3)2 Mg-nitrate Mg(1)N(2)O(6) RH95 15.FEB.10 -140822.2 -188957.9 39.197 62.930 13.961998 65.229446 0.452892 0.000000 600.00 nitrate-Ca Ca(NO3)2 Ca-nitrate Ca(1)N(2)O(6) RH95 15.FEB.10 -177485.7 -224283.0 46.200 66.090 18.678298 41.443595 -6.639579 208.460803 800.00 nitrate-Sr Sr(NO3)2 Sr-nitrate Sr(1)N(2)O(6) RH95 15.FEB.10 -186185.5 -233795.4 46.511 70.930 320.004780 -90.583174 61.560707 -5636.233270 900.00 nitrobarite Ba(NO3)2 nitrobarite Ba(1)N(2)O(6) RH95 15.FEB.10 -190392.0 -237117.6 51.099 80.580 29.995220 35.779159 -3.991396 0.000000 800.00 niter KNO3 niter K(1)N(1)O(3) RH95 15.FEB.10 -94311.7 -118188.3 31.812 48.040 129.060548 -45.752487 13.878759 -1866.000404 700.00 niter-Na NaNO3 soda-niter Na(1)N(1)O(3) RH95 15.FEB.10 -94311.7 -118188.3 31.812 48.040 129.060548 -45.752487 13.878759 -1866.000404 700.00 niter-NH4 NH4NO3 ammonia-niter N(2)O(3)H(4) RH95 15.FEB.10 -43929.3 -87380.5 36.114 46.490 3595.531596 -2136.495111 490.546900 -60038.50920 500.00 dawsonite_CpERR NaAlCO3(OH)2 dawsonite Na(1)Al(1)C(1)O(5)H(2) RH95 15.FEB.10 -426864.2 -469407.3 31.549 59.300 8.224187 0.079995 0.001784 0.000000 500.00 dawsonite NaAlCO3(OH)2 dawsonite Na(1)Al(1)C(1)O(5)H(2) RH95 11.FEB.20 -426864.2 -469407.3 31.549 59.300 8.224187 0.079995 1.784000 0.000000 500.00 trevorite NiFe2O4 trevorite Ni(1)Fe(2)O(4) RH95 15.FEB.10 -230664.4 -255855.6 33.676 43.650 22.846558 40.750478 0.095411 0.000000 1000.00 bastnaesite-Ce Ce0.5La0.25Nd0.2Pr0.05CO3F bast-Ce Ce(.5)La(.25)Nd(.2)Pr(.05)C(1)O(3)F(1) Gysi15 30.Jun.15 -408628.1 -432218.0 36.066 42.91 32.098470 0.000000 -4.856597 0.000000 528.00 parisite-Ce CaCe.95La.6Nd.35Pr.1(CO3)3F2 paris-Ce CaCe(.95)La(.6)Nd(.35)Pr(.1)C(3)O(9)F(2) Gysi15 30.Jun.15 -1092614.7 -1158699.8 93.595 122.710 95.315488 0.000000 -10.043021 -250.478011 643.00 dravite_orig NaMg3Al6Si6B3O27(OH4) drv Na(1)Mg(3)Al(6)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3440965.6 -3672323.1 153.681 329.200 277.007648 19.120459 -86.496176 0.000000 973 schorl_orig NaFe3Al6Si6B3O27(OH4) scl Na(1)Fe(3)Al(6)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3229684.5 -3452676.9 177.820 330.700 246.199809 83.986616 -70.124283 0.000000 973 uvite_orig CaMg3(Al5Mg)Si6B3O27(OH4) uvt Ca(1)Mg(4)Al(5)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3488049.7 -3719168.3 154.159 334.200 281.142447 19.407266 -87.786807 0.000000 973 foitite-Mg_orig (Mg2Al)Al6Si6B3O27(OH4) ftt-Mg Mg(2)Al(7)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3427581.3 -3656787.8 147.945 332.000 271.128107 18.714149 -84.655832 0.000000 973 elbaite_orig Na(Li1.5Al1.5)Al6Si6B3O27(OH)4 elb Na(1)Li(1.5)Al(7.5)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3429732.3 -3661328.9 150.335 325.000 222.968451 88.790631 -58.532505 0.000000 973 liddicoatite_orig Ca(Li2Al)Al6Si6B3O27(OH)4 ldc Ca(1)Li(2)Al(7)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3467495.2 -3698613.8 149.618 322.200 224.641491 89.459847 -58.962715 0.000000 973 dravite NaMg3Al6Si6B3O27(OH4) drv Na(1)Mg(3)Al(6)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3440723.4 -3672081.0 153.681 329.200 277.007648 19.120459 -86.496176 0.000000 973 schorl NaFe3Al6Si6B3O27(OH4) scl Na(1)Fe(3)Al(6)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3229281.0 -3452273.4 177.820 330.700 246.199809 83.986616 -70.124283 0.000000 973 uvite CaMg3(Al5Mg)Si6B3O27(OH4) uvt Ca(1)Mg(4)Al(5)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3487722.7 -3718841.3 154.159 334.200 281.142447 19.407266 -87.786807 0.000000 973 foitite-Mg (Mg2Al)Al6Si6B3O27(OH4) ftt-Mg Mg(2)Al(7)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3427306.8 -3656513.3 147.945 332.000 271.128107 18.714149 -84.655832 0.000000 973 elbaite Na(Li1.5Al1.5)Al6Si6B3O27(OH)4 elb Na(1)Li(1.5)Al(7.5)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3429459.7 -3661056.2 150.335 325.000 222.968451 88.790631 -58.532505 0.000000 973 liddicoatite Ca(Li2Al)Al6Si6B3O27(OH)4 ldc Ca(1)Li(2)Al(7)Si(6)B(3)O(31)H(4) Ogor12 21.Nov.18 -3467127.6 -3698246.1 149.618 322.200 224.641491 89.459847 -58.962715 0.000000 973 akaganeite FeO2H akg Fe(1)O(2)H(1) akg2011 31.JAN.19 -114674.6 -130186.4 19.097 20.820 51.047321 3.013396 0.971723 -536.975861 1000.00 borax Na2(B4O5(OH)4)*8H2O brx Na(2)B(4)O(17)H(20) LSR 28.JUL.21 -1318360.4 -1503009.1 139.966 222.700 -2.209371 0.000119 0.000000 0.000000 313.15 tincalconite Na2(B4O5(OH)4)*2.667H2O tcc Na(2)B(4)O(11.667)H(9.334) LSR 28.JUL.21 -1014455.1 -1126577.4 86.142 227.930 -0.777248 0.000072 0.000000 0.000000 313.15 kernite Na2B4O6(OH)2*3H2O knt Na(2)B(4)O(11)H(8) LSR 28.JUL.21 -976649.1 -1094691.7 80.493 149.540 2.822661 0.055208 0.000000 0.000000 315.15 ALABANDITE MnS Alb Mn(1)S(1) ref:1 5.May.78 -52178.0 -51000.0 19.200 21.460 11.400000 1.800000 0.000000 1803.00 ALUNITE KAl3(OH)6(SO4)2 Alu K(1)Al(3)S(2)O(14)H(6) ref:1 5.May.78 -1113600.0 -1235600.0 78.400 293.600 153.450000 0.000000 -54.950000 650.00 AMORPH_SiO2Duplic SiO2*NH2O Amor-Sl Si(1)O(2)H(2N)O(N) ref:1 5.May.78 -202892.0 -214568.0 14.340 29.000 5.930000 47.200000 -22.780000 622.00 ANGLESITE PbSO4 Ang Pb(1)S(1)O(4) ref:1 5.May.78 -194353.0 -219870.0 35.510 47.950 10.960000 31.000000 4.200000 1100.00 ARTINITE Mg2(OH)2(CO3)*3H2O Art Mg(2)C(1))O(8)H(8) ref:1 5.May.78 -613915.0 -698043.0 55.670 96.900 70.870000 27.660000 -7.430000 1000.00 AZURITE Cu3(OH)2(CO3)2 Azr Cu(3)C(2)O(8)H(2) ref:1 5.May.78 -334417.0 -390100.0 66.970 91.010 36.880000 77.440000 -0.920000 780.00 BARITE BaSO4 Brt Ba(1)S(1)O(4) ref:1 5.May.78 -325563.0 -352100.0 31.600 52.100 33.800000 0.000000 -8.430000 1422.00 BERNDTITE SnS2 Brn Sn(1)S(2) ref:12 5.May.78 -34750.0 -36700.0 20.900 40.960 15.510000 4.200000 0.000000 1000.00 BOEHMITE AlO(OH) Bhm Al(1)O(2)H(1) ref:1 5.May.78 -217250.0 -235078.0 11.580 19.535 14.435000 4.200000 0.000000 500.00 CASSITERITE SnO2 Cst Sn(1)O(2) ref:12 5.May.78 -124260.0 -138800.0 12.500 21.550 17.246000 2.802600 -4.900100 1500.00 CELESTITE SrSO4 Cls Sr(1)S(1)O(4) ref:1 5.May.78 -320435.0 -347300.0 28.000 46.250 21.800000 13.300000 0.000000 1500.00 CERUSSITE PbCO3 Cer Pb(1)C(1)O(3) ref:1 5.May.78 -150370.0 -168000.0 31.300 40.590 12.390000 28.600000 0.000000 800.00 CHABAZITE Ca(Al2Si4)O12*6H2O Cbz Ca(1)Al(2)Si(4)O(18)H(12) ref:1 5.May.78 999999.0 999999.0 152.900 247.760 146.000000 44.470000 -16.430000 1000.00 CHALCEDONY SiO2 Cha Si(1)O(2) ref:1 5.May.78 These match Walther and Helgeson 1977 Exactly -204276.0 -217282.0 9.880 22.688 11.220000 8.200000 -2.700000 848.00 CHLORARGYRITE AgCl Crg Ag(1)Cl(1) ref:7,15 5.May.78 -26247.0 -30370.0 23.000 25.727 14.330000 1.821000 -2.430000 728.00 CINNABAR HgS Cin Hg(1)S(1) ref:1 5.May.78 -10940.0 -12750.0 19.700 28.416 10.460000 3.720000 0.000000 618.00 COPPER Cu Cu Cu(1) ref:1 5.May.78 0.0 0.0 7.923 7.113 5.410000 1.500000 0.000000 1357.00 COVELLITE CuS Cv Cu(1)S(1) ref:1 5.May.78 -12612.0 -12500.0 15.900 20.420 10.600000 2.640000 0.000000 1273.00 CRISTOBALITE,ALPHA SiO2 A-Crs Si(1)O(2) ref:1 5.May.78 -203895.0 -216755.0 10.372 25.740 13.980000 3.340000 -3.810000 1000.00 CRISTOBALITE,BETA SiO2 B-Crs Si(1)O(2) ref:1 5.May.78 -203290.0 -215675.0 11.963 27.380 17.390000 0.310000 -9.890000 2000.00 DOLOMITE-DIS CaMg(CO3)2 Dis-Dol Ca(1)Mg(1)C(2)O(6) ref:1,19 15.Mar.90 -515653.0 -553704.0 39.840 64.390 44.711000 17.779000 -10.948000 1000.00 FE-BRUCITE Fe(OH)2 Fe-Brc Fe(1)O(2)H(2) ref:22 8.March.17 -117730.0 -137335.0 21.030 26.430 26.060000 4.3480000 -5.380000 700.00 FERROUS-OXIDE FeO Frs-Ox Fe(1)O(1) ref:1 5.May.78 -60097.0 -65020.0 14.520 12.000 12.122000 2.072000 -0.750000 1600.00 FERROPARGASITE Na(Ca2Fe4Al)(Al2Si6)O22(OH)2 Fe-Prg Na(1)Ca(2)Fe(4)Al(3)Si(6)O(24)H(2) ref:1 5.May.78 -2526187.0 -2686900.0 185.500 279.890 213.570000 42.990000 -47.290000 1000.00 FLUORITE CaF2 Fl Ca(1)F(2) ref:1 5.May.78 -280493.0 -293000.0 16.390 24.542 14.300000 7.280000 0.470000 1424.00 GALENA PbS Gn Pb(1)S(1) ref:1 5.May.78 -23115.0 -23500.0 21.800 31.490 11.170000 2.200000 0.000000 1388.00 GIBBSITE Al(OH)3 Gbs Al(1)O(3)H(3) ref:1 5.May.78 -276168.0 -309065.0 16.750 31.956 8.650000 45.600000 0.000000 425.00 GOLD Au Au Au(1) ref:1 5.May.78 0.0 0.0 11.330 10.215 5.660000 1.240000 0.000000 1336.00 GRAPHITE C Gr C(1) ref:1 5.May.78 0.0 0.0 1.372 5.298 4.030000 1.140000 -2.040000 2500.00 GREENALITE Fe3Si2O5(OH)4 Grn Fe(3)Si(2)O(9)H(4) ref:1,21 8.March.17 -716530.0 -787807.0 72.600 115.000 81.650000 32.600000 -15.390000 1000.00 HUNTITE CaMg3(CO3)4 Hun Ca(1)Mg(3)C(4)O(12) ref:1 5.May.78 -1004710.0 -1082600.0 71.590 122.900 84.170000 42.860000 -20.440000 1000.00 HYDROMAGNESITE Mg5(OH)2(CO3)4*4H20 Hydro-Mgs Mg(5)C(4)O(18)H(10) ref:1,7 5.May.78 -1401687.0 -1557090.0 120.380 208.800 141.460000 65.280000 -21.670000 1000.00 LITHARGE PbO LITHARGE Pb(1)O(1) ref:G9A 11.APR.95 -45220. -52540. 15.85 23.91 12.193 2.455 -1.7656 2000. MALACHITE Cu2(OH)2(CO3) Mal Cu(2)C(1)O(5)H(2) ref:1 5.May.78 -214204.0 -251900.0 44.500 54.860 27.760000 43.780000 -1.340000 780.00 MANGANOSITE MnO Mng Mn(1)O(1) ref:1,6 5.May.78 -86735.0 -92070.0 14.270 13.221 11.110000 1.940000 -0.880000 1800.00 METACINNABAR HgS Met-Cin Hg(1)S(1) ref:1 5.May.78 -10437.0 -11800.0 21.200 30.169 10.520000 3.630000 0.000000 1000.00 MINNESOTAITE Fe3Si4O10(OH)2 Mnn Fe(3)Si(4)O(12)H(2) ref:1,21 8.March.17 -1070057.0 -1153381.0 83.500 147.860 88.310000 42.610000 -11.150000 800.00 MOLYBDENITE MoS2 Mod Mo(1)S(2) ref:G17 5.Aug.98 -62848.0 -64961.8 14.960 32.020 17.135700 1.780000 -2.20140 1200.00 PALLADIUM Pd Pd Pd ref:G12 14.APR.92 0.0 0.0 9.040 8.861 5.730000 1.418000 -0.085000 1800.00 PLATINUM Pt Pt Pt ref:G12 16.AUG.15 0.0 0.0 9.950 9.090 5.830000 1.255000 -0.019000 2000.00 POTASSIUM-OXIDE K2O K-Ox K(2)O(1) ref:1 5.May.78 -77056.0 -86800.0 22.500 40.380 18.510000 8.650000 -0.880000 1100.00 Pd(OH)2(s) Pd(OH)2(s) FakeAbbrev Pd(1)O(2)H(2)+(0) ref:G12 9.APR.92 -72000.0 -92100.0 21.700 28.380 17.750000 10.080000 -0.273000 1000.00 Pd4S(s) Pd4S Pd4S Pd(4)S(1)+(0)(s) ref:G12 16.AUG.15 -16300.0 -16500.0 43.180 44.030 24.000000 11.660000 0.000000 1000.00 PdO(s) PdO(s) PdO Pd(1)O(1)+(0)(s) ref:G12 9.APR.92 -14330.0 -20400.0 13.200 14.680 10.753000 1.844000 -0.273000 1143.00 PdS(s) Vysotskite PdS(s) Pd(1)S(1)+(0)(s) ref:G12 30.MAR.95 -16000.0 -16900.0 13.500 20.650 9.970000 4.110000 -0.730000 1245.00 PtS(s) Cooperite PtS(s) Pt(1)S(1)(s) ref:G12 9.apr.92 -18600.0 -19900.0 13.160 22.150 9.970000 4.110000 -0.730000 1500.00 COOPERITE PtS Coop Pt(1)S(1) ref:G12-RG97 13.July.95 -18600.0 -19900.0 13.160 22.150 9.970000 4.110000 -0.730000 1500.00 PtS2(s) PtS2 PtS2 Pt(1)S(2)(s) ref:G12 16.AUG.15 -24200.0 -26400.0 17.850 32.750 16.390000 3.770000 -1.570000 1500.00 RHODOCHROSITE MnCO3 Rds Mn(1)C(1)O(3) ref:1 5.May.78 -195045.0 -212521.0 23.900 31.075 21.990000 9.300000 -4.690000 700.00 ROMARCHITE SnO Sn-Ox Sn(1)O(1) ref:12 5.May.78 -61459.0 -68340.0 13.660 20.895 9.550000 3.500000 0.000000 1237.00 SILVER Ag Ag Ag(1) ref:1 5.May.78 0.0 0.0 10.170 10.272 5.090000 2.040000 0.360000 1234.00 SMITHSONITE ZnCO3 Smt Zn(1)C(1)O(3) ref:1 5.May.78 -174850.0 -194260.0 19.700 28.275 9.300000 33.000000 0.000000 780.00 SODIUM-OXIDE Na2O Na-Ox Na(2)O(1) ref:1 5.May.78 -89883.0 -99140.0 17.935 25.000 18.250000 4.890000 -2.890000 1000.00 SPHALERITE ZnS Sp Zn(1)S(1) ref:1 5.May.78 -47947.0 -49000.0 14.019 23.830 11.770000 1.260000 -1.160000 1300.00 STRONTIANITE SrCO3 Str Sr(1)C(1)O(3) ref:1 5.May.78 -275470.0 -294600.0 23.200 39.010 23.520000 6.320000 -5.080000 1197.00 URANINITE UO2 UO2 U(1)O(2) ref: G11 8.SEP.94 -246610. -259320. 18.40 24.638 15.0033 7.586 -1.83867 600.0 PdS2 PdS2 PdS2(s) Pd(1)S(2)(s) ref:G12 30.MAR.95 -17700.0 -18700.0 21.000 34.300 16.390000 3.770000 -1.570000 1245.00 WURTZITE ZnS Wur Zn(1)S(1) ref:1 5.May.78 -44810.0 -45850.0 14.064 23.846 11.820000 1.160000 -1.040000 1300.00 ZINCITE ZnO Znc Zn(1)O(1) ref:G9A 5.May.78 -76596.0 -83762.0 10.430 14.338 11.710000 1.220000 -2.180000 2000.00 ************************************************************************ minerals that undergo one phase transition ************************************************************************ COESITE SiO2 Cos Si(1)O(2) ref:1 5.May.78 -203541.0 -216614.0 9.650 20.641 11.000000 8.200000 -2.700000 848.00 999999.0 999999.000 999999.000 14.190000 1.940000 0.000000 2000.00 CRISTOBALITE SiO2 Crs Si(1)O(2) ref:1 5.May.78 -203895.0 -216755.0 10.372 25.740 13.980000 3.340000 -3.810000 543.00 321.0 999999.000 999999.000 17.390000 0.310000 -9.890000 2000.00 NESQUEHONITE MgCO3*3H2O Nsh Mg(1)C(1)O(6)H(6) ref:1 5.May.78 -412035.0 -472576.0 46.760 74.790 -1574.804000 3899.173000 -417.325000 306.50 184.0 999999.000 999999.000 25.246000 91.289000 -4.222000 340.00 QUARTZ SiO2 Qtz Si(1)O(2) ref:1 5.May.78 -204646.0 -217650.0 9.880 22.688 11.220000 8.200000 -2.700000 848.00 290.0 0.372 38.500 14.410000 1.940000 0.000000 2000.00 QUICKSILVER Hg Hg Hg(1) ref:1 5.May.78 0.0 0.0 18.170 14.822 6.440000 0.000000 0.190000 629.00 14140.0 999999.000 999999.000 4.970000 0.000000 0.000000 3000.00 SELENIUM Se Se Se(1) ref:G17 30.Jul.98 0.0 0.0 10.103 16.42 6.081410 1.241400 -0.414259 494.00 1472.0 999999.000 999999.000 4.512400 3.197900 6.157600 957.00 TIN Sn Sn Sn(1) ref:12 Aug.85 0.0 0.0 12.240 16.289 4.420000 6.300000 0.000000 505.06 1680.0 999999.000 999999.000 7.300000 0.000000 0.000000 3000.00 ************************************************************************ minerals that undergo two phase transitions ************************************************************************ ACANTHITE Ag2S Acn Ag(2)S(1) ref:1 5.May.78 -9446.0 -7550.0 34.300 34.200 15.630000 8.600000 0.000000 450.00 950.0 999999.000 999999.000 1.819000 53.000000 0.000000 620.00 600.0 999999.000 999999.000 21.600000 0.000000 0.000000 1000.00 BORNITE_original Cu5FeS4 Bn Cu(5)Fe(1)S(4) ref:1,16 5.May.78 -86704.0 -79922.0 99.290 98.600 49.760000 35.080000 -1.350000 485.00 1430.0 999999.000 999999.000 -34.310000 247.000000 0.000000 540.00 0.0 999999.000 999999.000 80.330000 -2.040000 0.000000 1200.00 bornite Cu5FeS4 bn Cu(5)Fe(1)S(4) ref:RSH94(MR1) 18.Jul.02 -94324.0 -88815.0 95.244 98.720 49.760000 35.080000 -1.350000 485.00 1430.0 999999.000 999999.000 -34.310000 247.000000 0.000000 540.00 0.0 999999.000 999999.000 80.330000 -2.040000 0.000000 1200.00 BUNSENITE NiO Bsn Ni(1)O(1) ref:1 5.May.78 -50573.0 -57300.0 9.080 10.970 -4.990000 37.580000 3.890000 525.00 0.0 999999.000 999999.000 13.880000 0.000000 0.000000 565.00 0.0 999999.000 999999.000 11.180000 2.020000 0.000000 2000.00 CHALCOCITE_orig Cu2S Cc Cu(2)S(1) ref:1 5.May.78 -20626.0 -19000.0 28.900 27.480 12.630000 18.820000 0.000000 376.00 920.0 999999.000 999999.000 26.780000 -7.350000 0.000000 717.00 287.0 999999.000 999999.000 20.320000 0.000000 0.000000 1400.00 chalcocite Cu2S cc Cu(2)S(1) ref:RSH94(MR1) 18.Jul.02 -21318.0 -20043.0 27.777 27.490 12.630000 18.820000 0.000000 376.00 920.0 999999.000 999999.000 26.780000 -7.350000 0.000000 717.00 287.0 999999.000 999999.000 20.320000 0.000000 0.000000 1400.00 CHALCOPYRITE_orig CuFeS2 Ccp Cu(1)Fe(1)S(2) ref:1,16 5.May.78 -44900.0 -44453.0 31.150 42.830 20.790000 12.800000 -1.340000 830.00 2405.0 999999.000 999999.000 -141.400000 210.000000 0.000000 930.00 0.0 999999.000 999999.000 41.220000 0.000000 0.000000 1200.00 chalcopyrite CuFeS2 cp Cu(1)Fe(1)S(2) ref:1,16 5.May.78 -44900.0 -44453.0 31.150 42.830 20.790000 12.800000 -1.340000 830.00 2405.0 999999.000 999999.000 -141.400000 210.000000 0.000000 930.00 0.0 999999.000 999999.000 41.220000 0.000000 0.000000 1200.00 chalcopyrite_New CuFeS2 Cp_too_stable? Cu(1)Fe(1)S(2) ref:RSH94(MR1) 18.Jul.02 -46616.0 -46589.0 29.852 43.920 20.790000 12.800000 -1.340000 830.00 2405.0 999999.000 999999.000 -141.400000 210.000000 0.000000 930.00 0.0 999999.000 999999.000 41.220000 0.000000 0.000000 1200.00 PYRRHOTITE FeS Po Fe(1)S(1) ref:1 5.May.78 -24084.0 -24000.0 14.410 18.200 5.190000 26.400000 0.000000 411.00 570.0 999999.000 999999.000 17.400000 0.000000 0.000000 598.00 120.0 999999.000 999999.000 12.200000 2.380000 0.000000 1468.00 SULFUR S Sul S(1) ref:G13A 12.JUN.98 0.0 0.0 7.6 15.61 3.58 6.24 0.0 368.6 85.0 999999.000 999999.000 6.20 0.0 0.0 392. 335.0 999999.000 999999.000 8.73 0.0 0.0 717.8 ************************************************************************ minerals that undergo three phase transitions ************************************************************************ IRON Fe Fe Fe(1) ref:7,8 5.May.78 0.0 0.0 6.520 7.092 3.040000 7.580000 0.600000 1033.00 326.0 999999.000 999999.000 11.130000 0.000000 0.000000 1183.00 215.0 999999.000 999999.000 5.800000 1.980000 0.000000 1673.00 165.0 999999.000 999999.000 6.740000 1.600000 0.000000 1812.00 254 minerals with no phase transition (nmin1) 7 minerals with one phase transition (nmin2) 11 minerals with two phase transitions (nmin3) 1 minerals with three phase transitions (nmin4)