Arsenopyrite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070585 Morimoto N, Clark L A American Mineralogist 46 (1961) 1448-1469 Arsenopyrite crystal-chemical relations From Freiberg, Germany CELL PARAMETERS: 5.7540 5.6860 5.7860 90.000 112.280 90.000 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Fe 0.27200 0.00000 0.28900 1.000 0.700 Fe 0.27500 0.50200 0.78700 1.000 0.700 As 0.15400 0.37100 0.36300 1.000 0.600 As 0.15500 0.12900 0.86300 1.000 0.600 S 0.34600 -0.37000 0.17500 1.000 1.000 S 0.34300 -0.13100 0.67500 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 5 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 41.28235484 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.65 7.88 5.3244 1 0 0 22.81 1.51 3.8979 0 1 1 22.81 1.80 3.8979 0 -1 1 22.88 9.87 3.8865 1 1 0 22.88 10.96 3.8865 -1 1 0 24.29 16.94 3.6640 -1 1 1 24.29 17.19 3.6640 -1 -1 1 31.19 23.35 2.8675 -1 0 2 31.47 20.66 2.8430 0 2 0 31.98 3.03 2.7985 1 -1 1 31.98 2.88 2.7985 1 1 1 33.47 42.95 2.6770 0 0 2 33.67 56.98 2.6622 2 0 0 35.05 3.16 2.5604 -1 1 2 35.05 3.93 2.5604 -1 -1 2 35.19 5.52 2.5506 -2 -1 1 35.19 5.20 2.5506 -2 1 1 35.76 4.72 2.5110 0 2 1 35.76 4.89 2.5110 0 -2 1 36.76 50.05 2.4450 -1 2 1 36.76 49.95 2.4450 -1 -2 1 37.12 25.11 2.4220 0 -1 2 37.12 25.63 2.4220 0 1 2 37.30 24.26 2.4110 -2 1 0 37.30 25.60 2.4110 2 1 0 37.54 3.07 2.3957 -2 0 2 40.88 7.71 2.2077 -2 1 2 40.88 7.85 2.2077 -2 -1 2 43.20 18.83 2.0942 1 0 2 45.01 1.15 2.0141 -2 -2 1 45.01 1.44 2.0141 -2 2 1 46.30 3.87 1.9607 2 -1 1 46.30 4.05 1.9607 2 1 1 46.60 5.63 1.9490 0 2 2 46.60 5.77 1.9490 0 -2 2 46.75 6.64 1.9432 -2 2 0 46.75 6.33 1.9432 2 2 0 49.77 6.82 1.8320 -2 2 2 49.77 7.20 1.8320 -2 -2 2 49.99 20.91 1.8246 -1 -1 3 49.99 21.00 1.8246 -1 1 3 50.26 22.68 1.8152 -3 -1 1 50.26 23.46 1.8152 -3 1 1 51.12 2.83 1.7867 0 -3 1 51.12 3.08 1.7867 0 3 1 51.16 1.13 1.7856 -1 3 0 51.16 1.03 1.7856 1 3 0 51.88 11.38 1.7624 -1 3 1 51.88 11.60 1.7624 -1 -3 1 52.26 3.03 1.7504 -2 -1 3 52.26 3.19 1.7504 -2 1 3 52.43 2.40 1.7452 -3 -1 2 52.43 1.85 1.7452 -3 1 2 54.41 1.32 1.6861 1 -2 2 54.41 1.41 1.6861 1 2 2 54.51 3.12 1.6833 2 2 1 54.51 3.00 1.6833 2 -2 1 56.35 22.63 1.6327 1 -3 1 56.35 22.60 1.6327 1 3 1 57.32 25.10 1.6074 2 0 2 57.81 3.81 1.5948 -1 2 3 57.81 4.05 1.5948 -1 -2 3 58.06 5.33 1.5886 -3 -2 1 58.06 5.44 1.5886 -3 2 1 58.45 1.05 1.5789 -2 3 1 59.78 4.29 1.5469 0 -3 2 59.78 4.40 1.5469 0 3 2 59.88 2.82 1.5445 -2 2 3 59.88 2.44 1.5445 -2 -2 3 59.91 4.40 1.5440 -2 3 0 59.91 4.27 1.5440 2 3 0 60.18 12.48 1.5376 -3 -1 3 60.18 12.89 1.5376 -3 1 3 61.33 1.90 1.5115 0 -2 3 61.33 2.01 1.5115 0 2 3 62.48 1.44 1.4864 -2 -3 2 62.48 1.55 1.4864 -2 3 2 65.68 2.00 1.4215 0 4 0 67.24 2.32 1.3924 -3 2 3 67.24 2.18 1.3924 -3 -2 3 67.36 1.39 1.3902 -2 -1 4 67.36 1.19 1.3902 -2 1 4 67.40 1.05 1.3895 -1 -1 4 67.70 1.04 1.3840 -4 1 2 67.70 1.06 1.3840 -4 -1 2 69.94 6.16 1.3450 1 -2 3 69.94 6.09 1.3450 1 2 3 70.17 5.61 1.3413 3 2 1 70.17 5.82 1.3413 3 -2 1 70.33 1.64 1.3385 0 0 4 72.63 1.27 1.3018 -4 1 3 72.63 1.21 1.3018 -4 -1 3 72.79 2.13 1.2993 0 -3 3 72.79 2.23 1.2993 0 3 3 73.00 1.40 1.2961 -4 1 0 73.00 1.64 1.2961 4 1 0 74.05 1.08 1.2802 -2 2 4 74.05 1.20 1.2802 -2 -2 4 74.39 1.64 1.2753 -4 2 2 74.39 1.85 1.2753 -4 -2 2 74.51 1.13 1.2735 -4 -2 1 74.51 1.34 1.2735 -4 2 1 78.19 7.93 1.2225 -2 -4 2 78.19 7.97 1.2225 -2 4 2 79.51 1.03 1.2055 4 2 0 80.12 2.36 1.1978 -4 0 4 80.32 2.62 1.1954 1 0 4 80.84 1.12 1.1890 1 -3 3 80.84 1.05 1.1890 1 3 3 81.06 2.17 1.1863 3 3 1 81.06 2.18 1.1863 3 -3 1 82.25 1.86 1.1721 -4 -1 4 82.25 1.62 1.1721 -4 1 4 82.85 1.98 1.1652 4 -1 1 82.85 2.01 1.1652 4 1 1 88.03 1.58 1.1095 3 4 0 88.03 1.48 1.1095 -3 4 0 88.33 1.65 1.1065 -1 -5 1 88.33 1.64 1.1065 -1 5 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.