Wittichenite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R050327 Kocman V, Nuffield E W Acta Crystallographica B29 (1973) 2528-2535 The crystal structure of wittichenite, Cu3BiS3 Locality: Daniel Mine, Wittichen, Baden, Germany CELL PARAMETERS: 7.698642 10.38754 6.717680 90.00000 90.00000 90.00000 SPACE GROUP: P2_12_12_1 X-RAY WAVELENGTH: 1.541838 2-THETA INTENSITY D-SPACING H K L 15.75 14.68 5.6409 0 1 1 17.11 13.59 5.1938 0 2 0 19.55 45.72 4.5502 1 1 1 20.67 1.73 4.3056 1 2 0 21.66 1.15 4.1089 0 2 1 23.14 33.99 3.8493 2 0 0 24.59 3.36 3.6249 1 2 1 24.70 10.01 3.6095 2 1 0 26.57 8.74 3.3588 0 0 2 26.72 12.68 3.3399 2 0 1 28.10 43.35 3.1796 2 1 1 28.29 2.18 3.1578 1 3 0 28.90 17.53 3.0926 2 2 0 29.03 49.46 3.0786 1 0 2 29.04 38.49 3.0777 0 3 1 30.31 26.72 2.9517 1 1 2 31.33 100.00 2.8578 1 3 1 31.75 5.62 2.8204 0 2 2 31.88 14.09 2.8092 2 2 1 33.87 49.29 2.6483 1 2 2 34.56 7.96 2.5969 0 4 0 34.88 15.07 2.5743 2 3 0 36.08 6.00 2.4913 3 1 0 36.57 2.44 2.4589 2 1 2 37.43 13.82 2.4038 2 3 1 37.54 11.32 2.3973 3 0 1 38.56 13.68 2.3359 3 1 1 39.00 1.09 2.3105 1 4 1 39.18 5.46 2.3007 3 2 0 39.18 2.22 2.3007 1 3 2 39.63 7.09 2.2751 2 2 2 41.26 5.83 2.1889 0 1 3 41.51 12.07 2.1766 3 2 1 42.97 6.67 2.1055 1 1 3 44.19 10.25 2.0501 2 4 1 44.35 3.50 2.0432 2 3 2 44.44 5.89 2.0392 3 0 2 45.34 20.13 2.0010 3 1 2 45.68 1.81 1.9866 1 2 3 45.72 6.40 1.9850 1 4 2 45.73 3.14 1.9848 0 5 1 46.07 3.05 1.9710 3 3 1 47.31 9.44 1.9219 1 5 1 47.81 9.46 1.9028 2 1 3 47.94 8.30 1.8981 3 2 2 48.09 9.34 1.8924 4 1 0 48.42 4.64 1.8803 0 3 3 49.98 2.44 1.8253 3 4 0 49.94 26.39 1.8266 1 3 3 50.09 1.30 1.8215 4 1 1 50.32 9.85 1.8137 2 2 3 50.36 3.95 1.8125 2 4 2 51.84 15.12 1.7641 2 5 1 51.92 9.30 1.7615 3 4 1 52.06 3.92 1.7571 3 3 2 52.51 13.84 1.7429 4 2 1 52.89 10.43 1.7313 0 6 0 53.20 6.51 1.7221 1 5 2 54.30 8.30 1.6895 2 3 3 54.32 1.78 1.6891 1 6 0 54.38 7.27 1.6872 3 0 3 54.56 10.51 1.6822 4 3 0 54.66 6.64 1.6794 0 0 4 55.43 1.29 1.6579 0 1 4 56.15 1.62 1.6381 1 6 1 57.43 1.43 1.6047 3 2 3 57.46 5.49 1.6038 3 4 2 57.69 6.35 1.5980 0 2 4 58.45 5.65 1.5789 2 6 0 58.82 1.16 1.5700 3 5 1 59.57 3.39 1.5519 2 4 3 59.81 1.02 1.5463 4 4 0 60.11 5.75 1.5393 2 0 4 60.82 3.68 1.5230 0 5 3 60.83 3.36 1.5227 2 1 4 61.10 2.20 1.5167 3 3 3 61.44 9.69 1.5090 1 6 2 61.82 4.15 1.5008 5 0 1 62.13 2.11 1.4940 1 5 3 62.98 1.47 1.4758 2 2 4 63.76 2.01 1.4596 4 0 3 63.97 6.90 1.4553 3 5 2 64.64 2.64 1.4418 5 2 1 65.55 1.35 1.4240 1 7 1 65.96 1.69 1.4162 2 5 3 66.03 1.91 1.4148 3 4 3 66.18 4.40 1.4119 4 5 0 66.27 1.45 1.4102 0 4 4 66.54 1.82 1.4052 4 2 3 66.46 1.14 1.4066 2 3 4 66.63 2.78 1.4035 3 6 1 67.52 5.87 1.3871 5 1 2 67.52 1.12 1.3871 1 4 4 67.66 2.01 1.3846 2 7 0 71.20 2.24 1.3242 2 4 4 71.47 1.63 1.3198 3 6 2 71.90 3.11 1.3129 1 1 5 72.77 1.91 1.2994 5 4 1 72.88 4.75 1.2977 5 3 2 72.83 1.08 1.2984 0 8 0 74.57 3.85 1.2724 4 4 3 74.82 2.91 1.2687 5 0 3 75.14 1.12 1.2641 4 6 1 75.40 2.61 1.2603 6 0 1 75.49 1.20 1.2591 2 1 5 75.70 4.22 1.2561 4 1 4 77.10 1.50 1.2368 2 5 4 77.13 2.37 1.2363 1 3 5 77.42 1.15 1.2325 5 2 3 77.43 2.01 1.2323 2 2 5 78.00 1.13 1.2248 6 2 1 79.12 1.59 1.2102 2 8 1 79.26 2.88 1.2083 3 6 3 79.67 3.35 1.2032 6 3 0 79.49 4.27 1.2054 0 6 4 79.77 1.10 1.2019 4 6 2 79.93 2.13 1.1999 3 7 2 80.21 5.35 1.1964 1 8 2 80.64 1.62 1.1911 2 3 5 80.85 5.98 1.1885 4 3 4 81.75 1.94 1.1777 2 7 3 83.20 4.10 1.1608 5 5 2 83.25 2.62 1.1602 3 2 5 84.13 2.02 1.1504 2 6 4 85.64 1.24 1.1338 6 4 1 85.62 2.47 1.1340 5 6 1 86.18 1.08 1.1282 0 5 5 86.45 2.48 1.1253 1 9 1 87.32 1.43 1.1163 1 5 5 88.15 1.48 1.1080 1 0 6 89.44 1.27 1.0953 3 8 2 89.89 1.73 1.0909 2 9 1 90.14 1.97 1.0886 6 2 3 90.14 1.97 1.0886 6 2 3 XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.