Ca4Ge4O12 Vinograd V L, Winkler B, Wilson D J, Putnis A, Gale J D Physics and Chemistry of Minerals 33 (2006) 533-544 Monte Carlo simulation of mixing in Ca3Fe2Ge3O12-Ca4Ge4O12 garnets and implications for the thermodynamic stability of pyrope-majorite solid solution Sample: DFT _database_code_amcsd 0009046 CELL PARAMETERS: 12.6790 12.6790 12.5270 90.000 90.000 90.000 SPACE GROUP: I4_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 2013.803 Density (g/cm3): 4.240 MAX. ABS. INTENSITY / VOLUME**2: 19.60625042 RIR: 1.506 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.93 26.58 8.9112 1 0 1 8 17.17 1.54 5.1657 2 1 1 8 17.17 33.18 5.1657 1 2 1 8 17.27 12.67 5.1346 1 1 2 8 22.42 2.38 3.9661 1 0 3 8 24.42 5.53 3.6453 2 2 2 8 26.32 12.60 3.3857 2 3 1 8 26.39 8.22 3.3768 3 1 2 8 26.39 2.82 3.3768 1 3 2 8 26.51 2.09 3.3623 2 1 3 8 26.51 9.94 3.3623 1 2 3 8 28.15 73.80 3.1697 4 0 0 4 28.50 37.73 3.1318 0 0 4 2 29.92 1.10 2.9864 1 4 1 8 31.56 31.72 2.8351 2 4 0 4 31.56 58.29 2.8351 4 2 0 4 31.64 82.73 2.8282 4 0 2 8 31.87 86.22 2.8078 2 0 4 8 33.22 14.30 2.6972 3 3 2 8 33.31 6.99 2.6898 3 2 3 8 33.31 21.66 2.6898 2 3 3 8 34.73 40.08 2.5828 4 2 2 8 34.73 59.92 2.5828 2 4 2 8 34.95 45.75 2.5673 2 2 4 8 36.14 1.85 2.4854 5 0 1 8 36.14 4.75 2.4854 3 4 1 8 36.28 4.02 2.4761 4 1 3 8 36.28 2.08 2.4761 1 4 3 8 36.40 1.34 2.4681 3 1 4 8 36.40 2.87 2.4681 1 3 4 8 41.67 3.85 2.1674 5 0 3 8 43.04 1.85 2.1018 2 4 4 8 44.04 1.19 2.0561 1 6 1 8 45.23 1.97 2.0047 6 2 0 4 45.29 1.68 2.0023 6 0 2 8 46.43 1.17 1.9558 4 5 1 8 48.72 2.36 1.8689 3 6 1 8 48.83 1.52 1.8650 6 1 3 8 49.20 2.39 1.8518 1 3 6 8 50.04 25.66 1.8227 4 4 4 8 52.01 18.47 1.7583 6 4 0 4 52.01 8.67 1.7583 4 6 0 4 52.22 23.72 1.7517 6 0 4 8 52.48 26.00 1.7436 4 0 6 8 53.19 1.14 1.7219 3 6 3 8 53.71 1.14 1.7066 1 2 7 8 54.18 12.15 1.6928 6 4 2 8 54.18 27.90 1.6928 4 6 2 8 54.33 34.90 1.6884 6 2 4 8 54.33 13.71 1.6884 2 6 4 8 54.59 15.90 1.6812 4 2 6 8 54.59 26.12 1.6812 2 4 6 8 57.26 1.17 1.6090 7 3 2 8 57.32 1.45 1.6074 2 7 3 8 57.52 1.40 1.6024 6 1 5 8 57.65 1.58 1.5989 5 1 6 8 57.81 1.57 1.5949 2 3 7 8 58.21 21.36 1.5849 8 0 0 4 58.99 10.65 1.5659 0 0 8 2 59.22 2.09 1.5604 7 4 1 8 59.40 1.19 1.5561 7 1 4 8 61.26 1.42 1.5131 6 5 3 8 61.58 1.97 1.5060 3 5 6 8 62.17 1.86 1.4932 2 8 2 8 63.18 1.06 1.4717 4 7 3 8 63.64 1.76 1.4621 3 4 7 8 64.07 1.71 1.4534 6 6 2 8 65.00 1.08 1.4347 7 5 2 8 65.52 1.68 1.4247 5 2 7 8 65.89 4.60 1.4176 8 4 0 4 65.89 6.25 1.4176 4 8 0 4 66.07 7.74 1.4141 8 0 4 8 66.61 9.02 1.4039 4 0 8 8 67.78 5.43 1.3826 8 4 2 8 67.78 7.29 1.3826 4 8 2 8 67.91 3.54 1.3802 8 2 4 8 67.91 14.65 1.3802 2 8 4 8 68.45 6.34 1.3707 2 4 8 8 68.45 8.78 1.3707 4 2 8 8 68.66 1.81 1.3670 7 6 1 8 69.05 1.21 1.3603 7 1 6 8 69.05 1.35 1.3603 1 7 6 8 69.54 1.04 1.3518 1 2 9 8 69.73 7.62 1.3486 6 6 4 8 69.95 4.37 1.3449 6 4 6 8 69.95 8.27 1.3449 4 6 6 8 70.47 1.18 1.3363 8 5 1 8 70.73 1.45 1.3320 7 4 5 8 77.78 1.16 1.2280 9 0 5 8 80.29 1.13 1.1957 3 1 10 8 81.82 1.90 1.1772 4 10 0 4 81.82 1.59 1.1772 10 4 0 4 81.99 4.95 1.1752 8 6 4 8 81.99 2.18 1.1752 6 8 4 8 81.99 3.50 1.1752 10 0 4 8 82.20 3.07 1.1728 8 4 6 8 82.20 3.12 1.1728 4 8 6 8 82.49 1.63 1.1694 4 6 8 8 82.49 5.44 1.1694 6 4 8 8 82.86 4.24 1.1650 4 0 10 8 83.57 6.36 1.1570 10 4 2 8 83.57 1.49 1.1570 4 10 2 8 83.69 7.05 1.1555 10 2 4 8 83.69 2.58 1.1555 2 10 4 8 84.57 5.92 1.1458 2 4 10 8 84.57 3.17 1.1458 4 2 10 8 86.93 6.91 1.1207 8 8 0 4 87.59 12.92 1.1139 8 0 8 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.