Pyrrhotite Tokonami M, Nishiguchi K, Morimoto N American Mineralogist 57 (1972) 1066-1080 Crystal structure of a monoclinic pyrrhotite (Fe7S8) _database_code_amcsd 0000288 CELL PARAMETERS: 11.9020 6.8590 22.7870 90.000 90.430 90.000 SPACE GROUP: F2/d X-RAY WAVELENGTH: 1.541838 Cell Volume: 1860.183 Density (g/cm3): 4.623 MAX. ABS. INTENSITY / VOLUME**2: 20.66242246 RIR: 1.455 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.39 17.11 5.7557 -1 1 1 4 15.42 4.54 5.7452 1 1 1 4 15.56 10.68 5.6966 0 0 4 2 16.76 1.01 5.2910 -2 0 2 2 16.86 16.06 5.2585 2 0 2 2 18.93 13.11 4.6889 -1 1 3 4 24.57 1.78 3.6229 -1 1 5 4 24.66 8.42 3.6098 1 1 5 4 26.22 1.03 3.3991 -3 1 1 4 26.27 3.40 3.3926 3 1 1 4 27.15 5.19 3.2839 0 2 2 4 27.77 6.52 3.2123 -2 0 6 2 27.97 2.49 3.1905 2 0 6 2 28.45 2.00 3.1368 -3 1 3 4 28.60 2.39 3.1216 3 1 3 4 30.03 42.47 2.9754 4 0 0 2 30.07 79.79 2.9714 2 2 0 4 31.28 2.13 2.8595 -1 1 7 4 31.38 4.65 2.8505 1 1 7 4 31.41 10.74 2.8483 0 0 8 2 32.55 2.56 2.7512 -3 1 5 4 32.75 2.22 2.7341 3 1 5 4 33.88 14.01 2.6455 -4 0 4 2 33.98 62.56 2.6386 -2 2 4 4 34.08 25.61 2.6305 2 2 4 4 34.10 32.87 2.6293 4 0 4 2 35.26 8.09 2.5453 0 2 6 4 37.96 4.56 2.3702 -3 1 7 4 38.22 2.65 2.3549 3 1 7 4 38.60 1.29 2.3324 -1 1 9 4 40.27 1.03 2.2394 -5 1 1 4 40.37 1.97 2.2341 1 3 1 4 40.98 5.98 2.2026 4 2 2 4 41.81 4.56 2.1604 -5 1 3 4 41.98 4.33 2.1523 1 3 3 4 42.59 1.28 2.1227 2 0 10 2 43.84 48.79 2.0653 -4 0 8 2 43.95 98.96 2.0600 -2 2 8 4 44.13 100.00 2.0523 2 2 8 4 44.18 50.78 2.0499 4 0 8 2 44.98 4.70 2.0152 -1 3 5 4 45.08 4.76 2.0110 5 1 5 4 45.97 2.37 1.9741 -3 3 1 4 46.36 1.30 1.9583 -1 1 11 4 46.53 3.11 1.9517 6 0 2 2 46.86 7.21 1.9390 -4 2 6 4 47.38 3.14 1.9186 -3 3 3 4 49.27 1.15 1.8495 -1 3 7 4 50.29 4.09 1.8142 3 3 5 4 51.84 4.29 1.7637 -6 0 6 2 53.36 76.21 1.7171 6 2 0 4 53.43 35.86 1.7148 0 4 0 2 54.30 2.41 1.6894 3 3 7 4 54.65 2.44 1.6795 1 1 13 4 56.44 1.12 1.6303 2 4 2 4 57.37 4.71 1.6062 -4 0 12 2 57.50 4.38 1.6028 -2 2 12 4 57.71 9.75 1.5973 2 2 12 4 57.80 2.11 1.5953 4 0 12 2 58.70 2.77 1.5729 -2 0 14 2 61.28 1.00 1.5127 -2 4 6 4 62.42 2.70 1.4877 8 0 0 2 62.52 5.32 1.4857 4 4 0 4 63.03 1.01 1.4748 -6 2 8 4 63.11 1.44 1.4731 -1 1 15 4 63.24 1.27 1.4704 1 1 15 4 63.31 1.05 1.4691 0 4 8 4 63.44 1.35 1.4663 6 2 8 4 64.63 2.90 1.4421 -8 0 4 2 64.79 3.82 1.4389 -4 4 4 4 64.90 1.83 1.4368 8 0 4 2 64.92 5.99 1.4363 4 4 4 4 65.55 18.04 1.4241 0 0 16 2 69.41 2.25 1.3540 8 2 2 4 70.15 1.03 1.3416 -1 5 3 4 71.30 7.64 1.3227 -8 0 8 2 71.36 1.93 1.3218 -4 2 14 4 71.51 13.96 1.3193 -4 4 8 4 71.77 14.68 1.3152 4 4 8 4 71.81 8.41 1.3146 8 0 8 2 72.40 1.05 1.3053 1 5 5 4 72.43 1.09 1.3049 7 3 5 4 73.51 1.73 1.2884 -4 0 16 2 73.52 1.12 1.2882 6 4 2 4 73.58 1.53 1.2872 -8 2 6 4 73.65 3.25 1.2861 -2 2 16 4 73.91 3.72 1.2824 2 2 16 4 74.01 1.96 1.2808 4 0 16 2 76.42 1.05 1.2464 9 1 5 4 77.67 1.72 1.2294 -6 4 6 4 82.24 2.40 1.1722 -4 4 12 4 82.61 1.72 1.1680 4 4 12 4 82.70 1.39 1.1668 8 0 12 2 83.38 1.47 1.1591 -2 4 14 4 86.57 1.20 1.1244 10 2 0 4 88.52 2.07 1.1046 -10 2 4 4 88.61 1.88 1.1037 -8 4 4 4 88.81 1.75 1.1018 -2 6 4 4 88.82 2.26 1.1016 10 2 4 4 88.86 1.74 1.1013 8 4 4 4 88.87 1.76 1.1012 2 6 4 4 89.02 10.94 1.0997 -6 2 16 4 89.44 11.18 1.0956 0 4 16 4 89.74 12.53 1.0927 6 2 16 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.