40 TWQ/Jun92 O H NA CA MG FE MN AG AU PB ZN CU HG SI AS S C CL AL K F MO N P NI CO W BA SN U V SR N I BR CS LI TI E ZR 15.99940 1.00797 22.98981 40.08000 24.31200 55.84700 54.93800 107.87000 196.96700 207.19000 65.37000 63.53999 200.59000 28.08600 74.92160 32.06400 12.01115 35.45300 26.98151 39.10201 18.99840 95.94000 14.00670 30.97380 58.71000 58.93320 183.85000 208.98000 118.69000 238.03000 50.94200 87.62000 14.00670 126.90440 79.90900 132.90500 6.93900 47.90000 0.00000 91.22000 ****MINERAL DATA***** from RG Berman (J.Petrology, v.29, 1988) with ! preliminary/provisional properties for andradite, baddelyite, Fe cordierite, ! geikelite, hedenbergite, hercynite, kalsilite, leucite, nepheline, ! staurolite, zircon, ! Feb,89: modified Almandine, Ilmenite, Phlogopite; added annite consistent with ! proposed Fe-Mg garnet mixing properties (Berman, American Mineralogist, ! v. 75, p. 328-344, 1990) ! Nov,89: modified staurolite, Fe-cordierite, hercynite for consistency with ! almandine ! Feb,90: corrected Hydrogen gas Cp coefficient ! Aug,90: changed annite and biotite solution properties (McMullin et al., 1991 ! Canadian Mineralogist (1991, v. 29, 833-855) ! Aug, 91: added pumpellyite, glaucophane from Evans (1990) ! orthoenstatite formula doubled for ease of solid solution modelling ! calcite, magnesite modified by Mader and Berman (1991,Amer Mineral) ! abbreviation of CORDIERITE changed to 'Cd' in order to match entry into ! hydration model routine ! preliminary properties for ferrotremolite, tschermakite, ferrotschermakite, ! pargasite, ferropargasite: fit 210, IGCP-304 conference, May 92, Urs Mader; ! ref: Mader & Berman, 1992, Current Research, Part E, Geological Survey of Canada, ! Paper 92-1E; (revised properties) ! Zeolite properties are estimates from De Capitani and Liou (1991) AKERMANITE MG(1)CA(2)SI(2)O(7) Ak AKER ST -3667112.00 -3860441.19 212.0000 9.252 1.00000 C1 387.06396 -2938.769 0.000 -40790480. 0.00000 V1 2.50112887 0.00067224 -0.07851406 0.00000000 0.00000000 T1 358.00 298.15 0.00000000 0.00000000 452.00 ALBITE NA(1)AL(1)SI(3)O(8) Ab ALBI ST -3701276.00 -3921618.20 224.4120 10.083 1.00000 C1 393.63574 -2415.498 -7892826.000 1070636032. 0.00000 V1 2.63072032 0.00032407 -0.19446932 0.00048611 0.00000000 D1 0.00000 0.00000 0.00000 0.00000 0.00000 ! Above D1 line needed to compute stable ordering relative to high albite ! using Landau-type function of Salje et al. (1985) in external ALBITE routine ALBITE-KSP NA(1)AL(1)SI(3)O(8) Ab-K ALBI ST -3701276.00 -3921618.20 224.4120 10.083 1.00000 C1 393.63574 -2415.498 -7892826.000 1070636032. 0.00000 V1 2.63072032 0.00032407 -0.19446932 0.00048611 0.00000000 D1 0.00000 0.00000 0.00000 0.00000 0.00000 ! Above D1 line needed to compute stable ordering relative to high albite ! using Landau-type function of Salje et al. (1985) in external ALBITE routine ALBITE (HIGH) NA(1)AL(1)SI(3)O(8) hAb HALB ST -3701276.00 -3921618.20 224.4120 10.083 1.00000 C1 393.63574 -2415.498 -7892826.000 1070636032. 0.00000 V1 2.63072032 0.00032407 -0.19446932 0.00048611 0.00000000 ALBITE (LOW) NA(1)AL(1)SI(3)O(8) lAb LALB ST -3711054.00 -3935100.10 207.4430 10.043 1.00000 C1 393.63574 -2415.498 -7892826.000 1070636032. 0.00000 V1 2.63072032 0.00032407 -0.19446932 0.00048611 0.00000000 ALMANDINE SI(3)FE(3)AL(2)O(12) Alm ALMA ST 0.00 -5267216.00 340.0070 11.511 1.00000 C1 573.96191 -1483.127 -29291968.000 5022076928. 0.00000 V1 1.86125012 0.00074539 -0.05577832 0.00003211 0.00000000 ANDALUSITE AL(2)SI(1)O(5) And ANDA PHASE EQ. FIT ST -2440136.00 -2589972.17 91.4337 5.147 1.00000 C1 236.47818 -1102.941 -7526810.000 936442368. 0.00000 V1 2.34426462 0.00007189 -0.07700408 0.00019235 0.00000000 ANDRADITE SI(3)CA(3)FE(2)O(12) Andr ANDR ! All properties are provisional estimates not included in JPet 1988 paper ST 0.00 -5757255.18 318.1403 13.209 3.00000 C1 596.15930 -2530.370 -13292860.000 1395897310. 0.00000 V1 2.13334810 0.00047020 -0.06369400 0.00022000 0.00000000 ANNITE SI(3)FE(3)AL(1)K(1)H(2)O(12) Ann ANNI ST 0.00 -5142000.00 421.0100 15.483 3.00000 ! Properties derived by Berman (Am. Min., 1990), consistent with gt-bio expts; ! modified by McMullin (1990) on basis of SGAM barometry; ! 5142000 to be used with McMullin (1990) biotite mixing properties !ST 0.0 -5137500.00 420.0000 15.408 3.0 ! -5137500 J is value to be used with ideal FeMg mixing in garnet !ST 0.0 -5160566.00 420.0000 15.477 3.0 ! H = -5160566 J is value to be used with Gang & Sax (84) garnet model C1 727.20800 -4775.040 -13831900.000 2119060000. 0.00000 V1 3.44473262 0.00000000 -0.16969784 0.00000000 0.00000000 ANORTHITE AL(2)CA(1)SI(2)O(8) An ANOR ST -4002668.00 -4228730.47 200.1861 10.075 1.00000 C1 439.36938 -3734.149 0.000 -317023232. 0.00000 V1 1.09181141 0.00041985 -0.12724268 0.00031762 0.00000000 ANORTHITE-KSP AL(2)CA(1)SI(2)O(8) An-K ANOR ST -4002668.00 -4228730.47 200.1861 10.075 1.00000 C1 439.36938 -3734.149 0.000 -317023232. 0.00000 V1 1.09181141 0.00041985 -0.12724268 0.00031762 0.00000000 ANTHOPHYLLITE MG(7)SI(8)O(24)H(2) Ath ANTH ST -11348827.00 -12069031.71 535.1955 26.560 2.00000 C1 1219.31348 -5766.535 -34766144.000 4400898048. 0.00000 V1 2.70597176 0.00031325 -0.12590060 0.00000000 0.00000000 ANTIGORITE MG(48)SI(34)O(99)H(62)O(48) Atg ANTI ST -66151354.00 -71364156.29 3602.9958 174.246 1.00000 C1 7394.51172 0.000 -548363008.000 87284121600. 0.00000 V1 2.49647051 0.00039444 -0.19777757 0.00049442 0.00000000 BADDELYITE ZR(1)O(2) Bd BADD ! All properties are provisional estimates not included in JPet 1988 paper ST 0.00 -1100560.00 50.3800 2.115 3.00000 C1 89.49913 -374.135 -1602304.000 161287724. 0.00000 T1 1478.00 298.15 0.00000000 0.00000000 330.00 BRUCITE MG(1)O(2)H(2) Br BRUC ST -834549.00 -925936.60 63.0642 2.468 1.00000 C1 136.83899 -537.130 -4361949.000 552694528. 0.00000 V1 3.28538493 0.00010940 -0.20228525 0.00067261 0.00000000 graphite C(1) C GRPH ST .00 .00 5.740 .530 C1 51.000 -805.000 489000. 0. C2 .000000 -.004430 .000000 V1 2.830189 .000000 -.264151 diamond C(1) Dia DIAM ST .00 2180. 2.380 .342 C1 24.300 -273.400 -377400. 0. C2 .000000 .006272 .000000 V1 .877193 .000000 -.029240 CA-AL PYROXENE CA(1)AL(2)SI(1)O(6) CTs CATS ST -3120980.00 -3298766.68 140.7508 6.356 1.00000 C1 310.69775 -1671.627 -7455263.000 948781568. 0.00000 V1 2.22504720 0.00052863 -0.08700441 0.00021712 0.00000000 CALCITE CA(1)C(1)O(3) Cc CALC ST -1128813.00 -1206819.09 91.7248 3.690 1.00000 C1 178.18748 -1657.697 -482722.000 166604928. 0.00000 V1 0.89068166 0.00227402 -0.14001897 0.00000000 0.00000000 CHRYSOTILE MG(3)SI(2)O(9)H(4) Chr CRYS ST -4039429.00 -4363356.18 220.1345 10.720 1.00000 C1 610.02197 -5581.152 -1857300.000 195472000. 0.00000 V1 2.71512687 0.00067351 -0.18102799 0.00045243 0.00000000 CLINOCHLORE MG(5)AL(2)SI(3)O(18)H(8) Chl CLIN ST -8259134.00 -8909589.84 435.1545 21.147 2.00000 C1 1214.28442 -11217.129 0.000 -1256253184. 0.00000 V1 2.64515406 0.00000000 -0.18194707 0.00000000 0.00000000 COESITE SI(1)O(2) Cs COES ST 0.00 -907604.10 39.4244 2.064 1.00000 C1 94.90714 -767.338 -527867.000 26270730. 0.00000 V1 0.73963178 0.00043605 -0.10368217 0.00030000 0.00000000 CORDIERITE (DRY) MG(2)AL(4)SI(5)O(18) aCd CORD ST -8652708.00 -9158726.56 417.9700 23.311 2.00000 C1 954.38650 -7962.274 -2317258.000 -370214090. 0.00000 V1 0.30028742 0.00018017 -0.11582515 0.00000000 0.00000000 CORDIERITE MG(2)AL(4)SI(5)O(18) Cd CORD ST -8652708.00 -9158726.56 417.9700 23.311 2.00000 C1 954.38650 -7962.274 -2317258.000 -370214090. 0.00000 V1 0.30028742 0.00018017 -0.11582515 0.00000000 0.00000000 FE_CORDIERITE FE(2)AL(4)SI(5)O(18) fCd FECD ! Provisional properties not included in JPet 1988 paper; derived Nov., 1989 ST 0.00 -8469858.00 453.0550 23.707 3.00000 C1 975.30000 -8013.440 -9618520.000 1189278000. 0.00000 V1 1.26000000 0.00000000 -0.11582515 0.00000000 0.00000000 FE_CORDIERITE (DRY) FE(2)AL(4)SI(5)O(18) fCda FECD ! Provisional properties not included in JPet 1988 paper; derived Nov., 1989 ST 0.00 -8469858.00 453.0550 23.707 3.00000 C1 975.30000 -8013.440 -9618520.000 1189278000. 0.00000 V1 1.26000000 0.00000000 -0.11582515 0.00000000 0.00000000 CORUNDUM AL(2)O(3) Co CORU ST -1580958.00 -1675699.95 50.8200 2.558 1.00000 C1 155.01888 -828.387 -3861363.000 409083648. 0.00000 V1 2.13415030 0.00047180 -0.03852190 0.00003750 0.00000000 ALPHA CRISTOBALITE SI(1)O(2) aCr ACRS ST -853448.00 -907753.35 43.3943 2.587 1.00000 C1 83.51360 -374.693 -2455360.000 280072192. 0.00000 V1 2.08240619 0.00000000 -0.25145068 0.00000000 0.00000000 T1 535.15 298.15 -0.14216187 0.00044142 0.00 T2 0.048000 0.000000 0.0000000000 0.0000000000 0.00000 BETA CRISTOBALITE SI(1)O(2) bCr BCRS ST -853448.00 -906377.23 46.0288 2.730 1.00000 C1 83.51360 -374.693 -2455360.000 280072192. 0.00000 V1 0.31892080 0.00000000 -0.10997269 0.00055353 0.00000000 DIASPORE AL(1)O(2)H(1) Dsp DIAS ST -920021.00 -999377.89 35.3082 1.776 1.00000 C1 143.23953 -1540.409 -323098.000 64632256. 0.00000 V1 2.97180367 0.00000000 -0.05992916 0.00000000 0.00000000 DIOPSIDE MG(1)CA(1)SI(2)O(6) Di DIOP ST -3027516.00 -3200583.50 142.5000 6.620 1.00000 C1 305.41333 -1604.931 -7165973.000 921837568. 0.00000 V1 2.77951964 0.00083082 -0.08724773 0.00017069 0.00000000 DOLOMITE MG(1)CA(1)C(2)O(6) Do DOLO ST -2163760.00 -2325248.43 154.8900 6.432 1.00000 C1 328.48267 -2554.425 -4688477.000 790382336. 0.00000 V1 1.42302371 0.00363778 -0.10701904 0.00000000 0.00000000 D1 -9.42300 -2.27260 385300.00000 0.00000 0.00000 D2 0.01732 0.00001 298.15000 1423.00000 0.00000 CLINOENSTATITE MG(1)SI(1)O(3) cEn CLEN ST -1458699.00 -1545926.25 66.3251 3.131 1.00000 C1 139.95824 -497.034 -4400237.000 535708928. 0.00000 V1 2.19150000 0.00074920 -0.07496000 0.00004480 0.00000000 ORTHOENSTATITE MG(2)SI(2)O(6) En OREN ST 0.00 -3091104.50 132.3400 6.266 1.00000 C1 333.15900 -2401.176 -4541120.000 558300672. 0.00000 V1 2.46558172 0.00074670 -0.07493458 0.00004467 0.00000000 !ORTHOENSTATITE MG(1)SI(1)O(3) En OREN !ST -1459103.00 -1545552.25 66.1700 3.133 1.0 !C1 166.57950 -1200.588 -2270560.000 279150336. 0.0 !V1 2.46558172 0.00074670 -0.07493458 0.00004467 0.0 PROTOENSTATITE MG(1)SI(1)O(3) pEn PREN ST -1457873.00 -1543958.64 67.4376 3.242 1.00000 C1 166.57950 -1200.588 -2270560.000 279150336. 0.00000 V1 1.68317000 0.00116650 -0.07496000 0.00004480 0.00000000 FAYALITE FE(2)SI(1)O(4) Fa FAYA ST -1380699.00 -1479360.11 150.9300 4.630 1.00000 C1 248.92812 -1923.855 0.000 -139104096. 0.00000 V1 2.65457019 0.00079482 -0.07300000 0.00000000 0.00000000 FERROSILITE SI(2)FE(2)O(6) Fsl FESI ST 0.00 -2388749.20 191.7644 6.592 1.00000 C1 338.12116 -2385.942 -4194276.000 585065920. 0.00000 V1 3.18076456 0.00075850 -0.09899879 0.00000000 0.00000000 !FERROSILITE SI(1)FE(1)O(3) Fsl FESI !ST -1118017.00 -1194374.61 95.8822 3.296 1.0 !C1 169.06058 -1192.971 -2097138.000 292532960. 0.0 !V1 3.18076456 0.00075850 -0.09899879 0.0 0.0 FORSTERITE MG(2)SI(1)O(4) Fo FORS ST -2057238.00 -2174419.92 94.0100 4.366 1.00000 C1 238.64137 -2001.261 0.000 -116243280. 0.00000 V1 2.94636649 0.00088633 -0.07913336 0.00013513 0.00000000 GEHLENITE AL(2)CA(2)SI(1)O(7) Ge GEHL ST -3775355.00 -3988157.80 198.6000 9.033 1.00000 C1 373.08740 -2276.755 -4778466.000 477911808. 0.00000 V1 2.49260884 0.00005664 -0.09964904 0.00024878 0.00000000 D1 -221.74000 0.00000 17291280.00000 0.00000 0.00000 D2 0.36950 -0.00015 698.15000 1600.00000 0.00000 GEIKELITE MG(1)TI(1)O(3) Gk GEIK ! All properties are provisional estimates not included in JPet 1988 paper ST 0.00 -1570700.00 74.5600 3.086 3.00000 C1 131.15910 -18.045 -4728271.000 455266700. 0.00000 V1 2.72476341 0.00029968 -0.05839748 0.00012303 0.00000000 GLAUCOPHANE NA(2)AL(2)MG(3)SI(8)O(24)H(2) Glc GLAU ! from Evans (1990, Lithos) ST 0.00 -11960500.00 535.0000 26.050 3.00000 C1 1717.50000 -19272.000 7050000.000 0. 0.00000 C2 0.00 -0.121070 0.00000000 0.000 0.00000 V1 2.20000000 0.00088000 -0.11600000 0.00029000 0.00000000 GROSSULAR CA(3)AL(2)SI(3)O(12) Gr GROS ST -6270465.00 -6632859.38 255.1500 12.538 1.00000 C1 573.43042 -2039.405 -18887168.000 2319311872. 0.00000 V1 1.89942017 0.00079756 -0.06539136 0.00016350 0.00000000 HEDENBERGITE CA(1)FE(1)SI(2)O(6) Hd HEDE ! All properties are provisional estimates not included in JPet 1988 paper ST 0.00 -2837144.22 174.3314 6.795 3.00000 C1 296.70260 -1239.150 -7416518.000 893501213. 0.00000 V1 2.37026500 0.00050310 -0.07900000 0.00003923 0.00000000 HEMATITE FE(2)O(3) Hm HEMA ST -743715.00 -825627.39 87.4371 3.027 1.00000 C1 146.85840 0.000 -5576782.000 525627904. 0.00000 V1 3.83095170 0.00001650 -0.04789400 0.00003040 0.00000000 T1 955.65 298.15 -0.07403236 0.00027921 1287.92 HERCYNITE FE(1)AL(2)O(4) Hc HERC ! Provisional properties not included in JPet 1988 paper; derived Nov., 1989 ST 0.00 -1960924.20 107.0130 4.075 1.00000 !C1 288.04547 -2888.494 -0.0 65342480. 0.0 C1 204.26948 -258.256 -9807509.000 1208308510. 0.00000 V1 1.58188633 0.00096276 -0.05922832 0.00014699 0.00000000 HEULANDITE CA(1)AL(2)SI(7)O(24)H(12) Heu HEU ! All properties are estimates from De Capitani and Liou (1991), ST -10565396.80 734.373 31.8025 C1 1355.95400 -9155.5500 -22391220.0 3124286000. V1 2.675699696, -0.0002660, -0.079773389, 0.000344341 ILMENITE FE(1)TI(1)O(3) Ilm ILME ST 0.00 -1232448.00 108.6275 3.170 1.00000 C1 149.99950 -441.622 -3323694.000 348151040. 0.00000 V1 2.72476341 0.00029968 -0.05839748 0.00012303 0.00000000 JADEITE NA(1)AL(1)SI(2)O(6) Jd JADE ST -2845291.00 -3025118.24 133.5739 6.034 1.00000 C1 311.29297 -2005.101 -5350264.000 662566912. 0.00000 V1 2.31184298 0.00025785 -0.08598017 0.00021488 0.00000000 KALSILITE K(1)AL(1)SI(1)O(4) Kls KALI ! All properties are provisional estimates not included in JPet 1988 paper ST 0.00 -2111813.55 133.9653 5.989 3.00000 C1 186.00261 0.000 -13106745.000 2138928128. 0.00000 V1 2.34867257 0.00140257 -0.15670396 0.00000000 0.00000000 T1 800.15 298.15 -0.07096454 0.00021682 1154.00 KAOLINITE AL(2)SI(2)O(9)H(4) Kln KAOL ST -3797448.00 -4120327.22 203.7000 9.952 2.00000 C1 523.23291 -4426.668 -2244259.000 92308768. 0.00000 V1 3.20000000 0.00000000 -0.12000000 0.00000000 0.00000000 KYANITE AL(2)SI(1)O(5) Ky KYAN ST -2441634.00 -2594220.46 82.4300 4.412 1.00000 C1 262.68478 -2001.407 -1999740.000 -63181880. 0.00000 V1 2.39725295 0.00000000 -0.06459655 0.00000000 0.00000000 LAUMONTITE CA(1)AL(2)SI(4)O(16)H(8) Lmt LMT ! All properties are estimates from De Capitani and Liou (1991),= not included in JPet 1988 paper ST -7261180.50 463.333 20.3700 C1 917.377000 -6131.5000 -14805540.0 2022583000. V1 2.61002812 -0.0020376 -0.067858953 0.000260199 LAWSONITE CA(1)AL(2)SI(2)O(10)H(4) Lw LAWS ST -4508229.00 -4865665.95 229.1759 10.144 1.00000 C1 728.67310 -8248.055 0.000 850556416. 0.00000 V1 2.62833695 0.00000000 -0.07688091 0.00019223 0.00000000 ALEUCITE K(1)AL(1)SI(2)O(6) aLc ALUC ! All properties are provisional estimates not included in JPet 1988 paper ST 0.00 -3021141.60 199.2000 8.839 3.00000 C1 271.13965 -944.133 -7857238.000 959202560. 0.00000 V1 1.87804050 0.01047630 -0.17999774 0.00045028 0.00000000 T1 955.15 298.15 -0.09730853 0.00033730 0.00 BLEUCITE K(1)AL(1)SI(2)O(6) bLc BLUC ! All properties are provisional estimates not included in JPet 1988 paper ST 0.00 -3012026.03 210.7042 9.263 3.00000 C1 271.13965 -944.133 -7857238.000 959202560. 0.00000 V1 1.25167877 0.00000000 -0.15568254 0.00012739 0.00000000 LIME CA(1)O(1) Lm LIME ST -603418.00 -635090.00 37.7500 1.676 2.00000 C1 58.79117 -133.904 -1147146.000 102978784. 0.00000 V1 3.46103555 0.00067406 -0.10217132 0.00025650 0.00000000 MAGNESITE MG(1)C(1)O(3) Mst MGCO ST -1029123.00 -1114505.11 65.0900 2.803 2.00000 C1 162.29663 -1109.267 -4882646.000 874661888. 0.00000 V1 1.84361600 0.00415968 -0.08900860 0.00022118 0.00000000 MAGNETITE FE(3)O(4) Mt MAGN ST -1014343.00 -1117402.53 146.1142 4.452 1.00000 C1 207.93083 0.000 -7243337.000 664356352. 0.00000 V1 3.02910360 0.00138470 -0.05817030 0.00017510 0.00000000 T1 848.15 298.15 -0.19502452 0.00061037 1565.57 MARGARITE CA(1)AL(4)SI(2)O(12)H(2) Mrg MARG ST -5850897.00 -6236602.96 265.0841 12.958 1.00000 C1 699.79565 -5587.105 -6807750.000 734321664. 0.00000 V1 2.10185214 0.00124556 -0.11549004 0.00028862 0.00000000 MEIONITE CA(4)AL(6)SI(6)O(27)C(1) Me MEIO ST -13102086.00 -13849722.94 730.0000 34.036 2.00000 C1 1511.34497 -13243.328 0.000 -751613952. 0.00000 V1 0.93400000 0.00000000 -0.11102715 0.00000000 0.00000000 MERWINITE CA(3)MG(1)SI(2)O(8) Mw MERW ST -4311116.00 -4537497.44 251.7767 9.847 1.00000 C1 453.61963 -3250.015 0.000 -344227072. 0.00000 V1 2.93755865 0.00087235 -0.05505433 0.00013811 0.00000000 MONTICELLITE CA(1)MG(1)SI(1)O(4) Mo MONT ST -2135224.00 -2250027.48 108.3000 5.148 1.00000 C1 226.34225 -1542.741 -1179709.000 -23285888. 0.00000 V1 2.78631922 0.00076339 -0.09036547 0.00020000 0.00000000 MUSCOVITE K(1)AL(3)SI(3)O(12)H(2) Ms MUSC ST -5599784.00 -5976740.12 293.1567 14.087 1.00000 C1 651.48926 -3873.229 -18523200.000 2742469376. 0.00000 V1 3.35273302 0.00000000 -0.17169021 0.00042947 0.00000000 NEPHELINE NA(1)AL(1)SI(1)O(4) Ne NEPH ! All properties are provisional estimates not included in JPet 1988 paper ST 0.00 -2087975.81 124.2000 5.422 3.00000 C1 205.24190 -759.898 -10838267.000 2081817344. 0.00000 V1 3.15522000 0.00200000 -0.22205720 0.00060000 0.00000000 T1 467.15 298.15 -1.02784061 0.00339448 241.84 T3 1180.15 298.15 0.00000000 0.00000000 2393.00 PARAGONITE NA(1)AL(3)SI(3)O(12)H(2) Pg PARA ST -5560976.00 -5944208.14 277.6991 13.216 1.00000 C1 577.56934 -1472.801 -32214368.000 5050077184. 0.00000 V1 3.94240896 0.00059701 -0.19732335 0.00049335 0.00000000 PERICLASE MG(1)O(1) Pe PERI ST -569164.00 -601500.00 26.9514 1.125 1.00000 C1 61.10965 -296.199 -621154.000 5844612. 0.00000 V1 3.74774182 0.00003556 -0.06223329 0.00015114 0.00000000 PHLOGOPITE K(1)MG(3)AL(1)SI(3)O(12)H(2) Phl PHLG ST 0.00 -6210391.00 334.3460 14.977 1.00000 !ST 0.00 -6207342.00 334.1580 14.977 1.00000 C1 610.37988 -2083.781 -21533008.000 2841040896. 0.00000 V1 3.44473262 0.00000000 -0.16969784 0.00000000 0.00000000 K-FELDSPAR K(1)AL(1)SI(3)O(8) Kfs KSPR ST -3747058.00 -3970790.78 214.1451 10.869 1.00000 C1 381.37231 -1941.045 -12037252.000 1836425472. 0.00000 V1 1.51450750 0.00054850 -0.18045110 0.00051120 0.00000000 D1 282.98291 -4831.37500 3620706.00000 0.00000 0.00000 D2 -0.15733 0.00003 298.15000 1436.15000 410629.63000 K-FELDSPAR-KSP K(1)AL(1)SI(3)O(8) Kfs-K KSPR ST -3747058.00 -3970790.78 214.1451 10.869 1.00000 C1 381.37231 -1941.045 -12037252.000 1836425472. 0.00000 V1 1.51450750 0.00054850 -0.18045110 0.00051120 0.00000000 D1 282.98291 -4831.37500 3620706.00000 0.00000 0.00000 D2 -0.15733 0.00003 298.15000 1436.15000 410629.63000 K-FELDSPAR (HIGH) K(1)AL(1)SI(3)O(8) Sa HKPR ST -3740412.00 -3959703.78 229.1571 10.896 1.00000 C1 381.37231 -1941.045 -12037252.000 1836425472. 0.00000 V1 1.51450750 0.00054850 -0.18045110 0.00051120 0.00000000 K-FELDSPAR (LOW) K(1)AL(1)SI(3)O(8) Mcr LKPR ST -3747058.00 -3970790.78 214.1451 10.869 1.00000 C1 381.37231 -1941.045 -12037252.000 1836425472. 0.00000 V1 1.51450750 0.00054850 -0.18045110 0.00051120 0.00000000 PREHNITE CA(2)AL(2)SI(3)O(12)H(2) Prh PREH COMPROMISE BETW. CP,S ST -5817852.00 -6198606.33 288.6335 14.016 3.00000 C1 716.05176 -6404.609 -2182456.000 268502784. 0.00000 V1 0.14684075 0.01128353 -0.14269406 0.00000000 0.00000000 PUMPELLYITE CA(4)AL(5)MG(1)SI(6)O(28)H(7) Pmp PUMP ! from Evans (1990, Lithos) ST 0.00 -14402300.00 584.0000 29.550 3.00000 C1 1576.00000 -10603.800 -28304200.000 3838351000. 0.00000 V1 3.46700000 0.00000000 -0.05151600 0.00012880 0.00000000 PYROPE MG(3)AL(2)SI(3)O(12) Py PYRO ST -5938444.00 -6286547.62 266.3591 11.316 1.00000 C1 640.71997 -4542.070 -4701900.000 0. 0.00000 V1 2.25186544 0.00037044 -0.05762090 0.00004420 0.00000000 PYROPHYLLITE AL(2)SI(4)O(12)H(2) Prl PYPH ST -5264450.00 -5640780.66 239.4000 12.760 1.00000 C1 665.93066 -5897.422 -4979913.000 661808896. 0.00000 V1 1.26374216 0.00381661 -0.13544906 0.00000000 0.00000000 A-QUARTZ SI(1)O(2) aQz AQTZ ST -856227.00 -910699.95 41.4600 2.269 1.00000 C1 80.01199 -240.276 -3546684.000 491568384. 0.00000 V1 2.38945698 0.00000000 -0.24339298 0.00101375 0.00000000 T1 848.00 373.00 -0.09186959 0.00024607 0.00 T2 0.023743 0.000000 0.0000000000 0.0000000000 0.00000 B-QUARTZ SI(1)O(2) bQz BQTZ ST -856227.00 -908626.77 44.2068 2.370 1.00000 C1 80.01199 -240.276 -3546684.000 491568384. 0.00000 V1 0.00000000 0.00000000 -0.12382672 0.00070871 0.00000000 RUTILE TI(1)O(2) Rt RUTI ST -891336.00 -944750.00 50.4600 1.882 1.00000 C1 77.83762 0.000 -3367841.000 402940672. 0.00000 V1 2.57156217 0.00015409 -0.04542508 0.00005845 0.00000000 SILLIMANITE AL(2)SI(1)O(5) Si SILL ST -2437847.00 -2586090.58 95.9300 4.983 1.00000 C1 256.73158 -1887.225 -2977353.000 250959080. 0.00000 V1 1.34307044 0.00000000 -0.07525587 0.00000000 0.00000000 SPHENE CA(1)TI(1)SI(1)O(5) Sph SPHE ST -2454203.00 -2596652.15 129.2900 5.565 1.00000 C1 234.62025 -1040.294 -5118324.000 591460608. 0.00000 V1 2.52000000 0.00000000 -0.05900000 0.00000000 0.00000000 TITANITE CA(1)TI(1)SI(1)O(5) Ttn TITA ST -2607200.00 107.8100 5.560 1.00000 C1 260.26000 -1380.100 -5118300.000 591460000. 0.00000 V1 2.52000000 0.00000000 -0.05900000 0.00000000 0.00000000 ! Xirouchakis & Lindsley SPINEL MG(1)AL(2)O(4) Sp SPIN ST -2178401.00 -2300312.74 84.5346 3.977 2.00000 C1 235.89993 -1766.578 -1710415.000 40616928. 0.00000 V1 2.16913776 0.00050528 -0.04894168 0.00000000 0.00000000 STAUROLITE SI(7.5)FE(4)AL(18)H(4)O(48) St STAU ! Provisional properties not included in JPet 1988 paper; derived Nov., 1989 ST 0.00 -23765364.00 1005.3270 44.676 3.00000 C1 2577.67407 -16265.359 -61185888.000 8692047872. 0.00000 ! Cp predicted with equation (11) of Berman and Brown (1985) V1 1.79363460 0.00090396 -0.08000000 0.00000000 0.00000000 STILBITE CA(1)AL(2)SI(7)O(25)H(14) Stb STB ! All properties are estimates from De Capitani and Liou (1991) ST -10889880.20 718.667 32.8674 C1 1443.57100 -9913.6900 -22391220.0 3129577000. V1 2.827265455, -0.000321747, -0.069550624, 0.000314168 TALC MG(3)SI(4)O(12)H(2) Tc TALC ST -5520258.00 -5897386.72 261.2405 13.610 1.00000 C1 664.10522 -5187.172 -2147218.000 -327371776. 0.00000 V1 2.94468112 0.00000000 -0.16988979 0.00056650 0.00000000 TREMOLITE CA(2)MG(5)SI(8)O(24)H(2) Tr TREM ST -11584267.00 -12305578.13 551.1499 27.268 2.00000 C1 1229.36007 -6401.900 -32089890.000 4208807760. 0.00000 V1 2.43738877 0.00098338 -0.13917727 0.00034809 0.00000000 FETREMOLITE CA(2)FE(5)SI(8)O(24)H(2) FeTr FETR ST -11584267.00 -10484278.30 725.0000 28.370 0.00000 C1 1323.56200 -8519.785 -25067000.000 3673229000. 0.00000 V1 2.43738877 0.00098338 -0.13917727 0.00034809 0.00000000 TSCHERMAKITE CA(2)MG(3)AL(4)SI(6)O(24)H(2) Tsc TSCH ST -11584267.00 -12574757.50 517.7058 26.921 0.00000 C1 1248.18700 -6779.026 -33606240.000 4536217000. 0.00000 V1 2.43738877 0.00098338 -0.13917727 0.00034809 0.00000000 FETSCHERMAKITE CA(2)FE(3)AL(4)SI(6)O(24)H(2) FeTs FETS ST -11584267.00 -11491198.20 634.6937 27.190 0.00000 C1 1304.70800 -8049.757 -29392510.000 4214870000. 0.00000 V1 2.43738877 0.00098338 -0.13917727 0.00034809 0.00000000 PARGASITE NA(1)CA(2)MG(4)AL(3)SI(6)O(24)H(2) Parg PARG ST 0.00 -12726682.30 589.2005 27.090 0.00000 C1 1276.26200 -6514.016 -35217190.000 4745671000. 0.00000 V1 3.08710000 0.00000000 -0.11025400 0.00000000 0.00000000 FEPARGASITE NA(1)CA(2)FE(4)AL(3)SI(6)O(24)H(2) FePa FEPA ST 0.00 -11271593.70 738.0000 27.860 0.00000 C1 1351.62300 -8208.323 -29598880.000 4317209000. 0.00000 V1 3.08710000 0.00000000 -0.11025400 0.00000000 0.00000000 LOW TRIDYMITE SI(1)O(2) lTr LTRD ST -854407.00 -907749.56 43.7702 2.675 1.00000 C1 75.37267 0.000 -5958095.000 958246144. 0.00000 V1 1.93394983 0.00000000 -0.25084238 0.00000000 0.00000000 T1 390.15 298.15 0.42670490 -0.00144575 130.54 HIGH TRIDYMITE SI(1)O(2) hTr HTRD ST -854407.00 -907045.12 45.5237 2.737 1.00000 C1 75.37267 0.000 -5958095.000 958246144. 0.00000 V1 0.48286524 0.00000000 -0.07396833 0.00037354 0.00000000 WAIRAKITE CA(1)AL(2)SI(4)O(14)H(4) Wa WA ! All properties are estimates from De Capitani and Liou (1991), ST -6661077.15 377.777 19.0464 C1 742.143000 -4615.2200 -14805540.0 2012001000. V1 1.969149330 0.00000000 -0.098971900 0.000343917 WOLLASTONITE CA(1)SI(1)O(3) Wo WOLL ST -1545999.00 -1631500.00 81.8100 3.983 1.00000 C1 149.07266 -690.295 -3659348.000 484349440. 0.00000 V1 2.81800151 0.00000000 -0.12449159 0.00031132 0.00000000 PSEUDOWOLLASTONITE CA(1)SI(1)O(3) pWo PSWO ST -1542618.00 -1627427.11 85.2788 4.016 1.00000 C1 141.15611 -417.232 -5857595.000 940734976. 0.00000 V1 2.81800151 0.00000000 -0.12449159 0.00031132 0.00000000 ZOISITE CA(2)AL(3)SI(3)O(13)H(1) Zo ZOIS ST -6494050.00 -6889488.28 297.5759 13.588 1.00000 C1 749.17041 -6509.281 -2380525.000 124858368. 0.00000 V1 3.46695614 0.00000000 -0.05151604 0.00012879 0.00000000 CLINOZOISITE CA(2)AL(3)SI(3)O(13)H(1) cZo CLZO ST -6495977.00 -6894967.74 287.0759 13.673 3.00000 C1 749.17037 -6509.283 -2380525.000 124858370. 0.00000 V1 3.46695614 0.00000000 -0.05151604 0.00012879 0.00000000 ZIRCON ZR(1)O(4)SI(1) Zc ZIRC ! All properties are provisional estimates not included in JPet 1988 paper ST 0.00 -2031900.00 84.0300 3.926 3.00000 C1 166.70241 -434.320 -7348579.000 1040502569. 0.00000 ****GASES***** CARBON DIOXIDE C(1)O(2) CO2 CARB ST -394342.00 -393510.01 213.6770 0.000 1.00000 C1 93.00000 -1340.900 123800.000 0. 0.00000 C2 6336.20 -0.002876 0.00000000 0.000 0.00000 WATER H(2)O(1) W WATR ST -228538.00 -241816.00 188.7200 0.000 1.00000 C1 115.45000 -3799.900 -2871300.000 0. 0.00000 C2 51055.16 -0.002062 0.00000000 0.000 0.00000 ! THE PROPERTIES OF WATER GIVEN HERE ARE FOR STEAM ! IF THE HAAR EQUATION OF STATE IS USED, THEY ARE (MUST BE) ! ZERO'ED OUT BY THE PROGRAM OXYGEN GAS O(2) O2 O2 ST 0.00 0.00 205.0330 0.000 1.00000 C1 23.10248 804.888 1762835.000 0. 0.00000 C2 -18172.92 0.003000 0.00000000 0.000 0.00000 SULFUR GAS S(2) S2 S2 ST 0.00 128365.00 228.0700 0.000 1.00000 C3 36.48 0.000669 -376560.00 0.000 0.00000 HYDROGEN GAS H(2) H2 H2 ST 0.00 0.00 130.5740 0.000 1.00000 C3 27.28 0.003263 -50208.00 0.000 0.00000 ! CP1 52.783450 -1479.35790 -1996386.00 0.0 ! CP2 24980.4325 0.001270000 0.0000000E+00 0.0000000E+00 0.0000000E+00 ****COMMENTS****** THE NAMES OF THE GASES CAN NOT BE CHANGED AS THEY ARE USED TO RECOGNIZE WHICH GAS ROUTINE SHOULD BE USED. ST is the code for standard STATE PROPERTIES - G, H, S, V UNITS: J, J, J/DEG, J/bar NOTE: G = H - T*S where S is third law entropy, not entropy of formation; i.e. its an apparent G of formation CP calculated with eqn: Cp = K0 + K1/SQRT(T) + K2/T/T + K3/T/T/T + K4/T + K5*T + K6*T*T C1 IS THE CODE FOR THE FIRST LINE OF CP TERMS - K0, K1, K2, K3 C2 IS THE CODE FOR THE 2ND LINE OF CP TERMS - K4, K5, K6 C3 IS THE CODE FOR MAIER-KELLY CP EQUATION - K0, K5, K2 UNITS: J AND DEGREES CP(disorder) calculated by: Cp(dis) = D0 + D1/SQRT(T) + D2/T/T + D3/T + D4*T + D5*T*T To get H, S (disorder), this eqn integrated by TMIN and TMAX D1 IS THE CODE FOR THE FIRST LINE OF DISORDER TERMS - D0, D1, D2, D3 UNITS: J AND DEGREES D2 IS THE CODE FOR THE SECOND LINE OF DISORDER TERMS - D4, D5, TMIN, TMAX UNITS: J AND DEGREES LAMBDA HEAT CAPACITY EQUATION IS: CP(LAMBDA) = T * (L1 + L2 * T)**2 T1 (T3,T5 FOR MORE TRANSITIONS) IS THE CODE FOR THE FIRST LINE OF TRANSITION TERMS - T TRANS(K), REFERENCE T FOR INTEGRATION, LAMBDA CP TERM L1, LAMBDA CP TERM L2, HEAT OF TRANSITION UNITS: J AND DEGREES (SEE BERMAN AND BROWN, 1985, CMP, 89, 168-183) T2 (T4,T6 FOR MORE TRANSITIONS) IS THE CODE FOR THE SECOND LINE OF TRANS TERMS - DT/DP SLOPE OF TRANSITION, PARAMETER FOR HIGHER ORDER FIT OF TRANSITION T AS FUNCTION OF P, DV/DT FOR LOW T POLYMORPH, DV/DP FOR LOW T POLYMORPH UNITS: JOULES, BARS, DEGREES VOLUME EQUATION: V(P,T)/V(1,298) = 1 + V1(T-298) + V2(T-298)**2 + V3(P-1) + V4(P-1)**2 V1 IS THE CODE FOR VOLUME PARAMETERS - V1, V2,V3,V4 NOTE: V1,V2,V3 terms need to be divided by 10**5, V4 by 10**8