Berthierite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R070177 Buerger M J, Hahn T American Mineralogist 40 (1955) 226-238 The crystal structure of berthierite, FeSb2S4 CELL PARAMETERS: 11.41303 14.16483 3.763155 90.00000 90.00000 90.00000 SPACE GROUP: Pnam X-RAY WAVELENGTH: 1.541838 2-THETA INTENSITY D-SPACING H K L 12.51 33.00 7.0824 0 2 0 14.73 4.73 6.0179 1 2 0 15.54 3.22 5.7065 2 0 0 16.76 5.89 5.2931 2 1 0 20.36 45.77 4.3630 1 3 0 24.22 100.00 3.6741 3 1 0 24.47 53.04 3.6378 2 3 0 25.15 19.77 3.5412 0 4 0 25.71 27.56 3.4653 1 1 1 26.35 43.07 3.3821 1 4 0 27.96 95.93 3.1907 1 2 1 29.11 36.51 3.0670 2 1 1 29.69 53.14 3.0089 2 4 0 30.16 9.04 2.9624 3 3 0 31.14 87.33 2.8717 2 2 1 33.86 1.33 2.6466 4 2 0 34.10 87.81 2.6289 3 1 1 34.28 90.16 2.6155 2 3 1 34.60 2.55 2.5920 3 4 0 35.36 29.94 2.5375 2 5 0 35.68 18.57 2.5155 1 4 1 35.87 9.97 2.5028 3 2 1 36.79 1.38 2.4420 4 3 0 38.11 2.32 2.3608 0 6 0 38.29 6.55 2.3501 2 4 1 38.67 3.72 2.3277 3 3 1 38.94 5.68 2.3119 1 6 0 39.63 6.25 2.2736 4 0 1 39.65 10.20 2.2722 3 5 0 39.99 1.70 2.2535 5 1 0 39.81 4.96 2.2633 0 5 1 40.16 22.48 2.2449 4 1 1 40.59 1.66 2.2218 4 4 0 40.62 15.22 2.2201 1 5 1 41.55 26.88 2.1726 5 2 0 41.37 5.69 2.1815 2 6 0 41.71 16.02 2.1648 4 2 1 42.32 1.25 2.1347 3 4 1 42.97 3.81 2.1039 2 5 1 44.05 2.74 2.0551 5 3 0 44.20 31.83 2.0485 4 3 1 45.08 16.94 2.0103 4 5 0 45.18 14.64 2.0060 3 6 0 45.51 5.29 1.9925 1 7 0 46.06 3.17 1.9698 1 6 1 46.68 3.84 1.9451 3 5 1 47.36 26.48 1.9186 5 4 0 47.50 2.82 1.9132 4 4 1 47.80 3.01 1.9022 6 0 0 47.66 1.78 1.9072 2 7 0 48.35 10.18 1.8815 5 2 1 48.20 13.58 1.8873 2 6 1 48.35 44.48 1.8816 0 0 2 50.14 1.84 1.8185 0 2 2 50.58 28.53 1.8036 5 3 1 51.38 1.18 1.7774 5 5 0 51.24 36.10 1.7822 0 7 1 51.52 2.68 1.7732 4 5 1 51.61 23.80 1.7702 3 6 1 51.90 21.87 1.7609 1 7 1 52.97 5.71 1.7278 1 3 2 53.59 6.10 1.7092 5 4 1 53.99 17.29 1.6976 6 0 1 53.87 3.60 1.7012 2 7 1 54.21 2.52 1.6911 2 8 0 54.79 18.69 1.6747 3 1 2 54.91 10.31 1.6713 2 3 2 55.26 4.06 1.6616 0 4 2 55.66 1.04 1.6506 4 7 0 55.89 9.07 1.6443 1 4 2 56.14 1.57 1.6376 4 6 1 56.81 5.44 1.6197 7 1 0 57.30 3.52 1.6072 5 5 1 57.37 2.00 1.6053 3 8 0 57.68 4.18 1.5975 6 3 1 57.76 12.60 1.5953 2 4 2 58.02 10.13 1.5889 7 2 0 58.04 2.26 1.5883 3 3 2 58.41 1.48 1.5792 6 5 0 59.23 8.84 1.5591 1 9 0 59.94 6.54 1.5425 2 8 1 60.44 5.79 1.5308 6 4 1 61.30 9.88 1.5114 2 5 2 61.61 9.17 1.5045 4 8 0 62.38 5.07 1.4878 7 1 1 62.91 1.14 1.4765 3 8 1 63.52 3.99 1.4638 7 2 1 63.74 2.32 1.4593 1 6 2 63.98 2.61 1.4543 3 9 0 64.24 4.21 1.4492 3 5 2 65.60 11.75 1.4223 5 2 2 65.75 1.75 1.4194 8 1 0 65.47 2.36 1.4248 2 6 2 66.53 4.71 1.4048 5 7 1 66.86 2.18 1.3985 8 2 0 66.48 1.46 1.4057 1 10 0 66.83 1.66 1.3990 5 8 0 67.45 1.20 1.3878 5 3 2 67.55 4.48 1.3860 6 7 0 67.99 5.05 1.3781 7 4 1 67.98 2.07 1.3783 6 6 1 68.23 8.15 1.3737 4 5 2 68.17 2.31 1.3748 2 10 0 68.31 7.14 1.3723 3 6 2 68.69 4.42 1.3657 8 3 0 68.56 2.67 1.3680 1 7 2 70.00 13.78 1.3434 5 4 2 70.10 1.83 1.3416 7 6 0 70.34 1.59 1.3377 6 0 2 70.96 1.26 1.3275 3 10 0 71.24 5.28 1.3229 7 5 1 72.97 2.34 1.2957 5 9 0 73.26 1.59 1.2913 2 10 1 73.76 2.09 1.2837 8 3 1 74.72 1.24 1.2696 7 7 0 74.78 2.53 1.2687 4 10 0 75.13 2.08 1.2637 7 6 1 75.55 1.60 1.2577 2 8 2 76.22 1.47 1.2483 8 4 1 75.97 7.00 1.2519 3 10 1 76.68 1.00 1.2421 1 1 3 77.75 3.73 1.2276 7 1 2 77.72 4.02 1.2280 1 2 3 77.93 6.00 1.2251 5 9 1 78.28 1.60 1.2206 2 1 3 78.23 1.38 1.2212 3 8 2 78.79 7.04 1.2140 7 2 2 78.45 6.76 1.2184 0 11 1 79.13 1.07 1.2096 6 5 2 79.34 3.37 1.2069 8 5 1 78.98 1.71 1.2115 1 11 1 79.32 4.05 1.2072 2 2 3 80.09 6.86 1.1974 9 1 1 79.85 6.39 1.2005 1 9 2 81.13 1.18 1.1848 9 2 1 80.93 5.04 1.1871 3 1 3 81.04 5.30 1.1859 2 3 3 81.85 1.27 1.1761 1 4 3 81.94 7.10 1.1750 4 8 2 83.21 1.02 1.1603 3 11 1 84.06 2.12 1.1507 3 9 2 84.62 1.90 1.1446 4 1 3 84.92 1.08 1.1413 10 0 0 85.26 1.32 1.1376 10 1 0 84.92 1.30 1.1412 1 5 3 85.67 1.48 1.1332 8 1 2 85.64 1.44 1.1335 4 2 3 86.27 1.66 1.1268 10 2 0 86.69 1.89 1.1224 8 2 2 86.34 1.32 1.1261 1 10 2 86.66 1.44 1.1227 5 8 2 87.20 2.41 1.1171 9 6 0 87.32 3.92 1.1159 6 7 2 87.34 3.37 1.1158 4 3 3 87.54 1.72 1.1138 8 7 1 88.28 4.25 1.1063 9 5 1 87.90 2.08 1.1100 2 10 2 88.39 3.99 1.1052 8 3 2 89.71 1.71 1.0924 7 6 2 89.71 1.71 1.0924 7 6 2 XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.