Bismuthinite Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T Physics and Chemistry of Minerals 32 (2005) 578-584 Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = .0001 GPa _database_code_amcsd 0009004 CELL PARAMETERS: 11.2690 3.9717 11.1290 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 498.102 Density (g/cm3): 6.855 MAX. ABS. INTENSITY / VOLUME**2: 89.31717053 RIR: 4.242 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.17 2.66 7.9184 1 0 1 4 15.73 27.56 5.6345 2 0 0 2 15.93 8.48 5.5645 0 0 2 2 17.64 26.53 5.0269 2 0 1 4 17.78 7.93 4.9894 1 0 2 4 22.46 56.03 3.9592 2 0 2 4 23.79 29.18 3.7406 0 1 1 4 25.02 96.79 3.5591 3 0 1 4 25.08 53.41 3.5502 1 1 1 8 25.28 86.20 3.5237 1 0 3 4 27.48 23.63 3.2463 2 1 0 4 28.64 43.74 3.1164 2 1 1 8 28.67 10.58 3.1134 3 0 2 4 28.73 100.00 3.1074 1 1 2 8 28.81 13.63 3.0984 2 0 3 4 31.76 1.16 2.8173 4 0 0 2 31.92 80.19 2.8040 2 1 2 8 33.04 33.03 2.7110 0 1 3 4 33.17 6.32 2.7011 1 0 4 4 33.96 1.09 2.6395 3 0 3 4 34.01 26.47 2.6358 1 1 3 8 35.72 40.63 2.5135 4 0 2 4 36.00 12.36 2.4947 2 0 4 4 36.68 15.20 2.4503 3 1 2 8 39.21 24.71 2.2979 4 1 0 4 40.07 37.82 2.2504 4 1 1 8 40.19 4.77 2.2436 4 0 3 4 40.34 2.87 2.2358 3 0 4 4 40.38 13.14 2.2335 1 1 4 8 41.06 1.94 2.1983 3 1 3 8 41.35 3.01 2.1836 1 0 5 4 42.57 7.62 2.1239 4 1 2 8 42.81 15.17 2.1125 2 1 4 8 43.31 8.97 2.0890 5 0 2 4 43.73 9.08 2.0701 2 0 5 4 45.69 32.96 1.9858 0 2 0 2 45.84 6.32 1.9796 4 0 4 4 46.49 1.96 1.9535 4 1 3 8 46.62 55.98 1.9483 3 1 4 8 46.79 27.36 1.9417 0 1 5 4 47.07 11.10 1.9305 5 1 1 8 47.19 10.40 1.9262 5 0 3 4 47.48 16.67 1.9149 3 0 5 4 47.52 3.01 1.9135 1 1 5 8 48.47 12.73 1.8782 6 0 0 2 48.61 2.73 1.8729 2 2 0 4 49.12 6.95 1.8548 0 0 6 2 49.20 1.62 1.8520 6 0 1 4 49.29 11.60 1.8488 5 1 2 8 49.34 3.04 1.8470 2 2 1 8 49.39 1.01 1.8451 1 2 2 8 49.82 6.17 1.8302 1 0 6 4 51.34 1.37 1.7795 6 0 2 4 51.48 10.87 1.7751 2 2 2 8 51.90 4.26 1.7618 2 0 6 4 52.39 4.53 1.7465 4 0 5 4 52.79 22.38 1.7342 3 2 1 8 52.82 14.57 1.7331 5 1 3 8 52.93 20.66 1.7300 1 2 3 8 53.10 3.26 1.7249 3 1 5 8 54.01 10.23 1.6979 6 1 0 4 54.68 3.23 1.6785 6 1 1 8 54.78 1.69 1.6756 6 0 3 4 54.83 2.52 1.6743 3 2 2 8 54.92 3.71 1.6719 2 2 3 8 55.26 3.72 1.6622 1 1 6 8 57.51 1.42 1.6024 5 1 4 8 57.61 2.48 1.6000 1 2 4 8 59.31 15.45 1.5582 4 2 2 8 59.50 4.72 1.5537 2 2 4 8 59.69 3.19 1.5492 4 0 6 4 59.91 3.53 1.5439 6 1 3 8 60.34 3.16 1.5341 3 1 6 8 60.51 6.71 1.5301 2 0 7 4 62.45 2.18 1.4870 4 2 3 8 62.56 1.33 1.4847 3 2 4 8 62.84 7.04 1.4787 7 1 1 8 62.94 8.23 1.4768 7 0 3 4 63.30 1.45 1.4692 1 2 5 8 64.57 2.26 1.4433 4 1 6 8 64.68 5.06 1.4411 7 1 2 8 64.77 4.56 1.4393 5 2 2 8 64.97 1.61 1.4354 6 0 5 4 65.09 4.54 1.4331 2 2 5 8 65.13 2.01 1.4322 5 0 6 4 65.36 11.40 1.4278 2 1 7 8 66.72 3.45 1.4020 4 2 4 8 66.96 1.27 1.3975 8 0 1 4 67.18 4.67 1.3934 7 0 4 4 67.31 1.65 1.3911 0 0 8 2 67.78 5.96 1.3826 5 2 3 8 67.89 1.40 1.3806 1 0 8 4 68.01 9.48 1.3784 3 2 5 8 68.80 7.53 1.3645 6 2 0 4 69.32 4.18 1.3555 0 2 6 4 69.65 10.60 1.3500 6 1 5 8 69.81 1.29 1.3473 5 1 6 8 69.90 3.74 1.3458 1 2 6 8 71.49 2.49 1.3197 6 0 6 4 71.58 2.00 1.3183 8 1 1 8 71.60 2.76 1.3179 2 2 6 8 72.01 2.96 1.3115 4 2 5 8 72.26 13.18 1.3074 4 1 7 8 72.37 2.17 1.3058 1 3 1 8 72.48 6.16 1.3041 1 1 8 8 73.31 6.26 1.2914 8 1 2 8 73.48 1.02 1.2888 2 3 0 4 74.02 1.13 1.2807 6 2 3 8 74.05 2.32 1.2802 2 3 1 8 74.09 4.81 1.2796 1 3 2 8 75.76 4.56 1.2556 2 3 2 8 75.98 1.59 1.2524 6 1 6 8 76.38 1.95 1.2469 0 3 3 4 76.57 3.17 1.2443 9 0 1 4 76.93 1.71 1.2393 1 3 3 8 76.93 2.47 1.2393 7 1 5 8 77.69 1.33 1.2292 1 0 9 4 78.27 2.44 1.2215 4 2 6 8 78.51 1.12 1.2183 3 3 2 8 78.99 5.21 1.2121 2 2 7 8 80.09 2.20 1.1982 4 3 0 4 80.09 3.09 1.1982 8 1 4 8 80.65 3.48 1.1913 4 3 1 8 80.86 1.22 1.1888 1 3 4 8 80.97 1.32 1.1874 9 1 1 8 81.17 6.76 1.1850 7 2 3 8 81.27 2.54 1.1838 5 0 8 4 81.53 3.83 1.1807 0 1 9 4 82.04 1.93 1.1746 3 0 9 4 82.48 1.58 1.1694 2 3 4 8 83.01 1.37 1.1633 6 2 5 8 83.08 3.18 1.1625 7 1 6 8 83.16 1.72 1.1616 5 2 6 8 84.84 1.14 1.1429 8 2 1 8 84.93 1.39 1.1418 9 0 4 4 85.04 4.18 1.1406 7 2 4 8 85.16 1.48 1.1394 0 2 8 4 85.18 7.09 1.1392 3 3 4 8 85.30 3.45 1.1378 0 3 5 4 85.51 1.42 1.1356 5 3 1 8 85.62 1.91 1.1345 5 1 8 8 85.70 1.27 1.1336 1 2 8 8 85.82 1.04 1.1323 4 0 9 4 87.17 1.64 1.1182 5 3 2 8 88.53 1.36 1.1045 10 0 2 4 89.08 2.44 1.0992 6 2 6 8 89.26 3.32 1.0974 9 1 4 8 89.92 2.40 1.0910 5 3 3 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.