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 = 9.18 GPa _database_code_amcsd 0009011 CELL PARAMETERS: 10.6340 3.8423 10.4630 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 427.508 Density (g/cm3): 7.987 MAX. ABS. INTENSITY / VOLUME**2: 103.1494565 RIR: 4.205 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 16.67 13.75 5.3170 2 0 0 2 16.95 8.36 5.2315 0 0 2 2 18.72 3.08 4.7401 2 0 1 4 18.90 15.55 4.6942 1 0 2 4 23.86 81.12 3.7291 2 0 2 4 24.68 33.31 3.6068 0 1 1 4 26.09 55.82 3.4157 1 1 1 8 26.55 99.61 3.3572 3 0 1 4 26.90 82.06 3.3140 1 0 3 4 28.66 40.17 3.1142 2 1 0 4 29.94 53.23 2.9848 2 1 1 8 30.05 100.00 2.9733 1 1 2 8 30.46 3.12 2.9345 3 0 2 4 30.66 11.61 2.9163 2 0 3 4 33.49 51.10 2.6760 2 1 2 8 33.71 7.61 2.6585 4 0 0 2 34.28 1.28 2.6158 0 0 4 2 34.74 35.13 2.5824 0 1 3 4 34.82 8.55 2.5766 4 0 1 4 35.34 3.69 2.5400 1 0 4 4 35.51 6.89 2.5281 3 1 1 8 35.78 42.80 2.5095 1 1 3 8 36.13 1.32 2.4861 3 0 3 4 37.96 27.90 2.3700 4 0 2 4 38.35 18.41 2.3471 2 0 4 4 38.61 17.64 2.3321 3 1 2 8 38.76 1.78 2.3229 2 1 3 8 41.30 13.78 2.1862 4 1 0 4 42.23 40.91 2.1400 4 1 1 8 42.67 17.31 2.1189 1 1 4 8 42.77 5.20 2.1143 4 0 3 4 43.42 1.93 2.0842 5 0 1 4 44.11 3.64 2.0532 1 0 5 4 44.94 30.18 2.0172 4 1 2 8 45.27 10.51 2.0030 2 1 4 8 46.65 11.64 1.9472 2 0 5 4 47.32 36.31 1.9211 0 2 0 2 48.85 3.03 1.8645 4 0 4 4 49.37 56.08 1.8459 3 1 4 8 49.61 25.38 1.8377 0 1 5 4 49.77 13.18 1.8320 5 1 1 8 50.25 22.79 1.8158 5 0 3 4 50.39 2.54 1.8109 1 1 5 8 50.51 1.51 1.8068 2 2 0 4 50.66 18.44 1.8020 3 0 5 4 51.39 2.11 1.7780 1 2 2 8 51.57 15.00 1.7723 6 0 0 2 52.17 20.04 1.7532 5 1 2 8 52.47 6.86 1.7438 0 0 6 2 53.23 7.49 1.7208 1 0 6 4 53.67 16.55 1.7078 2 2 2 8 54.68 1.05 1.6786 6 0 2 4 54.72 3.97 1.6775 4 1 4 8 55.08 24.25 1.6674 3 2 1 8 55.27 20.79 1.6621 1 2 3 8 55.45 4.10 1.6570 2 0 6 4 55.70 2.92 1.6502 5 0 4 4 55.92 2.57 1.6443 4 0 5 4 57.44 3.36 1.6043 2 2 3 8 57.98 5.28 1.5907 6 1 1 8 58.80 2.82 1.5705 1 1 6 8 59.35 2.69 1.5571 4 2 0 4 60.07 2.89 1.5402 4 2 1 8 60.41 1.53 1.5322 1 2 4 8 61.70 1.22 1.5034 7 0 1 4 62.20 11.22 1.4924 4 2 2 8 62.47 7.51 1.4866 2 2 4 8 63.68 3.44 1.4613 6 1 3 8 63.80 1.17 1.4589 7 0 2 4 63.84 4.11 1.4581 4 0 6 4 64.28 2.56 1.4492 3 1 6 8 64.79 3.18 1.4389 2 0 7 4 65.67 2.50 1.4218 4 2 3 8 66.67 1.88 1.4028 1 2 5 8 66.82 5.76 1.4000 7 1 1 8 67.22 5.73 1.3928 7 0 3 4 67.34 2.15 1.3905 5 1 5 8 68.63 6.25 1.3676 2 2 5 8 68.84 3.94 1.3639 7 1 2 8 69.79 16.16 1.3475 2 1 7 8 70.36 1.78 1.3380 4 2 4 8 71.49 13.88 1.3196 5 2 3 8 71.83 11.28 1.3143 3 2 5 8 71.87 1.15 1.3137 7 0 4 4 72.14 7.43 1.3094 7 1 3 8 72.24 1.36 1.3079 0 0 8 2 72.55 3.10 1.3029 4 0 7 4 72.57 9.45 1.3027 6 2 0 4 72.87 1.70 1.2981 1 0 8 4 73.32 4.44 1.2912 0 2 6 4 73.51 4.01 1.2883 8 0 2 4 73.94 4.86 1.2818 1 2 6 8 74.36 13.17 1.2757 6 1 5 8 74.58 4.49 1.2724 5 1 6 8 74.66 1.21 1.2713 0 3 1 4 75.28 2.33 1.2623 1 3 1 8 75.71 2.35 1.2562 8 1 0 4 75.82 2.87 1.2548 2 2 6 8 76.03 2.03 1.2518 5 2 4 8 76.21 1.77 1.2492 4 2 5 8 76.35 5.79 1.2472 8 1 1 8 76.51 1.86 1.2452 2 3 0 4 76.66 3.67 1.2430 6 0 6 4 76.66 5.16 1.2430 7 1 4 8 77.15 3.00 1.2364 2 3 1 8 77.21 5.20 1.2356 1 3 2 8 77.33 9.60 1.2339 4 1 7 8 77.64 5.49 1.2298 1 1 8 8 79.05 3.13 1.2113 2 3 2 8 79.77 2.29 1.2023 0 3 3 4 80.38 3.07 1.1947 1 3 3 8 82.08 4.05 1.1741 9 0 1 4 82.11 1.51 1.1738 3 3 2 8 83.17 3.48 1.1615 4 2 6 8 83.68 1.73 1.1557 1 0 9 4 83.85 1.33 1.1538 4 3 0 4 84.04 2.70 1.1517 2 2 7 8 84.47 4.26 1.1469 4 3 1 8 84.60 2.20 1.1455 7 0 6 4 84.77 1.87 1.1436 1 3 4 8 86.26 5.22 1.1276 7 2 3 8 86.34 3.51 1.1268 4 3 2 8 86.58 1.23 1.1243 2 3 4 8 86.72 1.59 1.1228 9 1 1 8 87.71 4.26 1.1127 0 1 9 4 88.51 1.73 1.1047 3 0 9 4 89.22 1.13 1.0977 7 1 6 8 89.60 8.16 1.0941 3 3 4 8 89.77 3.69 1.0924 0 3 5 4 89.90 1.93 1.0912 5 3 1 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.