Calculations for P = 5.0 kbar and T = 550°C ________________________________________________________________________________ ctd weavA1 2 site mixing: (1-site Fe-Mg-Mn, 1/2-site Al-Fe3+) Ferric from: Cation Sum = 4 for 6 oxygens. Max Ratio = 0.2 WFeMg=1.5, WMgMn=1.5, WFeMn=0 (kJ) oxide wt % cations ąsd activity ąsd ą% SiO2 24.36 1.005 0.016 mctd 0.18 0.0181 10 TiO2 0.08 0.002 0.002 fctd 0.81 0.026 3 Al2O3 40.38 1.964 0.020 mnctd - - - Cr2O3 0.07 0.002 0.002 Fe2O3 1.08 0.034 0.025 FeO 23.70 0.818 0.019 MnO 0.11 0.004 0.002 MgO 2.52 0.155 0.005 CaO 0.05 0.002 0.002 Na2O 0.18 0.014 0.004 K2O 0.00 0.000 0.000 totals 92.42 4.000 ________________________________________________________________________________ bi rp13/bi Al-M1 ordered, site-mixing model + macroscopic RS gammas: (ann, phl, east, obi) Ferric from: Tet + Oct cation sum = 6.9 for 11 oxygens. Max Ratio = 0.15 SF model parameters: Wpa=9, Wpe=10, Wpo=3, Wao=6, Wae=-1, Woe=10 (kJ) oxide wt % cations ąsd activity ąsd ą% SiO2 37.61 2.803 0.032 phl 0.074 0.0112 15 TiO2 1.40 0.078 0.004 ann 0.022 0.0051 23 Al2O3 18.19 1.598 0.025 east 0.063 0.0103 16 Cr2O3 0.00 0.000 0.000 Fe2O3 1.48 0.084 0.057 FeO 15.29 0.952 0.052 MnO 0.00 0.000 0.000 MgO 12.47 1.385 0.024 CaO 0.09 0.007 0.004 Na2O 0.11 0.016 0.007 K2O 7.63 0.725 0.017 totals 94.13 7.649 ________________________________________________________________________________ g rp13/gt 2-site mixing + Regular solution gammas Ferric from: Cation Sum = 8 for 12 oxygens W: py.alm=2.5, gr.py=33, py.andr=73, alm.andr=60, spss.andr=60 kJ oxide wt % cations ąsd activity ąsd ą% SiO2 37.68 2.973 0.036 py 0.00152 0.000537 35 TiO2 0.00 0.000 0.000 gr 0.017 0.00415 25 Al2O3 21.48 1.998 0.030 alm 0.25 0.018 8 Cr2O3 0.00 0.000 0.000 spss 0.000052 0.0000219 42 Fe2O3 0.93 0.055 0.062 andr - - - FeO 29.21 1.929 0.045 MnO 1.74 0.116 0.005 MgO 1.90 0.223 0.009 CaO 8.34 0.705 0.015 Na2O 0.00 0.000 0.000 K2O 0.00 0.000 0.000 totals 101.20 8.000 ________________________________________________________________________________ mu rp13/mu Nonideal mu-cel-fcel-pa (Coggon & Holland 2002) Ferric from: Tet + Oct cation sum = 6.05 for 11 oxygens. Max Ratio = 0.7 oxide wt % cations ąsd activity ąsd ą% SiO2 46.29 3.110 0.029 mu 0.70 0.035 5 TiO2 0.26 0.013 0.003 cel 0.0103 0.0038 37 Al2O3 34.55 2.736 0.038 fcel 0.0023 0.00086 37 Cr2O3 0.00 0.000 0.000 pa 0.190 0.0181 10 Fe2O3 1.14 0.058 0.003 FeO 0.44 0.025 0.001 MnO 0.00 0.000 0.000 MgO 1.10 0.110 0.007 CaO 0.12 0.009 0.004 Na2O 0.58 0.076 0.008 K2O 8.92 0.764 0.017 totals 93.41 6.901 ________________________________________________________________________________ ep rp13/ep Symmetric Formalism (TJBH 1998). cz = Al3, ep = Al2Fe, fep = AlFe2 epidote. Ferric from: Si + Al + Fe(3) = 6 for 12.5 oxygens. Max Ratio = 0.99 SF Model parameters: Wcf = 15.4, Wce = 0.0, Wef = 3.0 kJ. delta H = -26.1 kJ oxide wt % cations ąsd activity ąsd ą% SiO2 38.82 2.990 0.031 cz 0.66 0.033 5 TiO2 0.14 0.008 0.003 ep 0.31 0.018 6 Al2O3 29.61 2.689 0.038 Cr2O3 0.00 0.000 0.000 Fe2O3 5.63 0.327 0.008 FeO 0.05 0.003 0.000 MnO 0.04 0.003 0.003 MgO 0.00 0.000 0.000 CaO 23.92 1.974 0.034 Na2O 0.00 0.000 0.000 K2O 0.00 0.000 0.000 totals 98.24 7.995 ________________________________________________________________________________ chl rp13/chl Ordered Al(M4) model. Holland et al. 1998 EJM Ferric from: Cation Sum<=10 for 14 oxygens. Max Ratio = 0.2 Wcl-da = 2.5, Wcl-am = 18, Wam-da = 20.5 kJ oxide wt % cations ąsd activity ąsd ą% SiO2 25.39 2.621 0.033 clin 0.057 0.0089 16 TiO2 0.00 0.000 0.000 daph 0.0106 0.00293 28 Al2O3 22.75 2.769 0.040 ames 0.061 0.0093 15 Cr2O3 0.00 0.000 0.000 Fe2O3 0.00 0.000 0.000 FeO 21.97 1.897 0.033 MnO 0.02 0.002 0.004 MgO 17.56 2.702 0.045 CaO 0.04 0.004 0.006 Na2O 0.00 0.000 0.000 K2O 0.00 0.000 0.000 totals 87.73 9.995 ________________________________________________________________________________ fsp rp13/plag Holland & Powell 1992 model 1 Ferric from: all ferric plag is C1 structure oxide wt % cations ąsd activity ąsd ą% SiO2 59.93 2.677 0.018 an 0.48 0.0194 4 TiO2 0.00 0.000 0.000 ab 0.70 0.0176 3 Al2O3 25.28 1.331 0.022 Cr2O3 0.00 0.000 0.000 Fe2O3 0.00 0.000 0.000 FeO 0.00 0.000 0.000 MnO 0.00 0.000 0.000 MgO 0.00 0.000 0.000 CaO 6.17 0.295 0.007 Na2O 8.07 0.699 0.016 K2O 0.19 0.011 0.003 totals 99.64 5.013 ________________________________________________________________________________ cpx 480d/omph Assumed P2/n ordered pyroxene: ideal coupled mixing Ferric from: Cation Sum = 4 for 6 oxygens oxide wt % cations ąsd activity ąsd ą% SiO2 57.20 2.024 0.012 di 0.35 0.0176 5 TiO2 0.00 0.000 0.000 hed 0.13 0.0160 12 Al2O3 12.50 0.521 0.010 jd 0.52 0.026 5 Cr2O3 0.00 0.000 0.000 cats - - - Fe2O3 0.00 0.000 0.000 acm - - - FeO 4.70 0.139 0.004 MnO 0.00 0.000 0.000 MgO 7.00 0.369 0.009 CaO 10.20 0.387 0.008 Na2O 8.00 0.549 0.013 K2O 0.00 0.000 0.000 totals 99.61 3.990 ________________________________________________________________________________ opx 86-110 M1-M2 site mixing. Projected into en-fs-mgts-di system for gammas Ferric from: Cation Sum = 4 for 6 oxygens W: fs.en=1.0, en.mgts=0,en.di=30, mgts.di=30, fs.mgts=1.0, fs.di=28 kJ oxide wt % cations ąsd activity ąsd ą% SiO2 52.79 1.941 0.020 en 0.40 0.020 5 TiO2 0.13 0.004 0.001 fs 0.11 0.015 13 Al2O3 1.70 0.074 0.003 mgts - - - Cr2O3 0.00 0.000 0.000 Fe2O3 1.38 0.038 0.040 FeO 21.01 0.646 0.037 MnO 0.51 0.016 0.002 MgO 22.93 1.257 0.018 CaO 0.59 0.023 0.002 Na2O 0.02 0.001 0.004 K2O 0.00 0.000 0.000 totals 100.92 4.000 ________________________________________________________________________________ cpx 86-110 C2/c Ca-pyroxene. Projected into di-hed-en-cats-jd-acm for gammas Ferric from: Cation Sum = 4 for 6 oxygens oxide wt % cations ąsd activity ąsd ą% SiO2 50.76 1.884 0.019 di 0.58 0.029 5 TiO2 0.62 0.017 0.002 hed 0.19 0.025 13 Al2O3 3.70 0.162 0.005 cats 0.092 0.015 16 Cr2O3 0.00 0.000 0.000 jd - - - Fe2O3 2.92 0.082 0.038 en - - - FeO 5.40 0.168 0.037 MnO 0.18 0.006 0.002 MgO 14.77 0.817 0.014 CaO 20.59 0.819 0.013 Na2O 0.64 0.046 0.004 K2O 0.00 0.000 0.000 totals 99.29 4.000 ________________________________________________________________________________ amph 480d/gl Ideal mixing model for sodic amphiboles (with half Smix on T1) Ferric from: Av from max and min constraints. Holland & Blundy 1993 oxide wt % cations ąsd activity ąsd ą% SiO2 53.60 7.354 0.056 gl 0.041 0.0068 17 TiO2 0.10 0.010 0.005 fgl 0.00086 0.00037 43 Al2O3 11.60 1.876 0.037 rieb 0.000058 0.0000320 55 Cr2O3 0.00 0.000 0.000 Fe2O3 3.09 0.319 0.059 FeO 5.12 0.588 0.055 MnO 0.00 0.000 0.000 MgO 14.40 2.944 0.054 CaO 5.20 0.764 0.020 Na2O 5.00 1.330 0.036 K2O 0.20 0.035 0.009 totals 98.00 15.327 ________________________________________________________________________________ sp RW3/spinel 3-site mixing for disordered aluminous spinels Ferric from: Cation Sum = 3 for 4 oxygens. Max Ratio = 0.9 Whs=2.0, Whm=39, Wms=41 (kJ) oxide wt % cations ąsd activity ąsd ą% SiO2 0.00 0.000 0.000 sp 0.27 0.0200 8 TiO2 0.00 0.000 0.000 herc 0.67 0.0506 8 Al2O3 55.40 1.857 0.011 mt 0.5141 0.03856 8 Cr2O3 0.17 0.004 0.001 Fe2O3 6.54 0.140 0.003 FeO 31.14 0.741 0.013 MnO 0.10 0.002 0.001 MgO 6.03 0.256 0.006 CaO 0.00 0.000 0.000 Na2O 0.00 0.000 0.000 K2O 0.00 0.000 0.000 totals 99.39 3.000 ________________________________________________________________________________ sp H86612/mag Ferric from: Cation Sum = 3 for 4 oxygens. Max Ratio = 0.9 ideal mixing in inverse spinels oxide wt % cations ąsd activity ąsd ą% SiO2 0.00 0.000 0.000 mt 0.79 0.0396 5 TiO2 1.33 0.038 0.002 usp 0.0014 0.00040 28 Al2O3 1.26 0.057 0.003 cmt - - - Cr2O3 0.27 0.008 0.002 Fe2O3 64.14 1.858 0.012 FeO 31.44 1.012 0.017 MnO 0.15 0.005 0.002 MgO 0.38 0.022 0.003 CaO 0.00 0.000 0.000 Na2O 0.00 0.000 0.000 K2O 0.00 0.000 0.000 totals 98.97 3.000