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 = 7.22 GPa _database_code_amcsd 0009009 CELL PARAMETERS: 10.7010 3.8655 10.5650 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 437.018 Density (g/cm3): 7.813 MAX. ABS. INTENSITY / VOLUME**2: 102.3768701 RIR: 4.266 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 16.57 15.93 5.3505 2 0 0 2 16.78 8.52 5.2825 0 0 2 2 18.59 4.80 4.7733 2 0 1 4 18.73 14.95 4.7368 1 0 2 4 23.67 75.68 3.7591 2 0 2 4 24.52 32.14 3.6302 0 1 1 4 25.92 54.96 3.4377 1 1 1 8 26.37 98.62 3.3796 3 0 1 4 26.65 82.11 3.3452 1 0 3 4 28.49 38.33 3.1333 2 1 0 4 29.74 50.92 3.0040 2 1 1 8 29.83 100.00 2.9948 1 1 2 8 30.23 3.76 2.9562 3 0 2 4 30.39 12.10 2.9417 2 0 3 4 33.24 53.63 2.6949 2 1 2 8 33.50 6.85 2.6753 4 0 0 2 33.94 1.02 2.6412 0 0 4 2 34.45 34.09 2.6033 0 1 3 4 34.59 6.30 2.5934 4 0 1 4 34.99 3.90 2.5643 1 0 4 4 35.28 4.45 2.5443 3 1 1 8 35.49 40.19 2.5295 1 1 3 8 35.83 1.24 2.5061 3 0 3 4 37.69 29.81 2.3866 4 0 2 4 37.99 17.69 2.3684 2 0 4 4 38.33 17.81 2.3482 3 1 2 8 38.46 1.49 2.3409 2 1 3 8 41.03 14.78 2.1998 4 1 0 4 41.95 40.70 2.1536 4 1 1 8 42.30 16.50 2.1369 1 1 4 8 42.43 5.13 2.1303 4 0 3 4 43.13 1.50 2.0976 5 0 1 4 43.66 3.45 2.0730 1 0 5 4 44.62 25.80 2.0308 4 1 2 8 44.88 10.84 2.0195 2 1 4 8 46.19 11.15 1.9653 2 0 5 4 47.02 35.59 1.9327 0 2 0 2 48.43 3.75 1.8796 4 0 4 4 48.96 56.23 1.8606 3 1 4 8 49.14 25.82 1.8541 0 1 5 4 49.44 13.49 1.8436 5 1 1 8 49.86 21.10 1.8289 5 0 3 4 49.92 2.50 1.8269 1 1 5 8 50.18 18.04 1.8180 3 0 5 4 50.19 1.74 1.8178 2 2 0 4 51.04 2.00 1.7895 1 2 2 8 51.22 15.34 1.7835 6 0 0 2 51.80 20.19 1.7648 5 1 2 8 51.93 6.87 1.7608 0 0 6 2 52.68 7.25 1.7375 1 0 6 4 53.30 15.41 1.7189 2 2 2 8 54.27 3.44 1.6903 4 1 4 8 54.29 1.05 1.6898 6 0 2 4 54.71 23.98 1.6778 3 2 1 8 54.86 20.65 1.6735 1 2 3 8 54.89 4.10 1.6726 2 0 6 4 55.24 2.60 1.6628 5 0 4 4 55.41 2.71 1.6582 4 0 5 4 55.59 1.14 1.6532 5 1 3 8 57.01 3.46 1.6153 2 2 3 8 57.58 5.08 1.6007 6 1 1 8 58.22 2.75 1.5847 1 1 6 8 58.95 2.43 1.5667 4 2 0 4 59.66 2.13 1.5497 4 2 1 8 59.93 1.60 1.5434 1 2 4 8 61.76 11.97 1.5020 4 2 2 8 61.97 7.20 1.4974 2 2 4 8 63.20 3.51 1.4713 6 1 3 8 63.22 4.18 1.4708 4 0 6 4 63.66 2.91 1.4617 3 1 6 8 64.11 3.52 1.4526 2 0 7 4 65.17 2.47 1.4314 4 2 3 8 66.10 1.78 1.4136 1 2 5 8 66.35 6.05 1.4089 7 1 1 8 66.70 6.50 1.4023 7 0 3 4 66.75 1.81 1.4014 5 1 5 8 68.03 5.95 1.3780 2 2 5 8 68.33 4.75 1.3727 7 1 2 8 69.08 15.25 1.3598 2 1 7 8 69.80 2.19 1.3475 4 2 4 8 70.95 12.79 1.3284 5 2 3 8 71.21 10.96 1.3242 3 2 5 8 71.28 1.61 1.3231 7 0 4 4 71.43 1.38 1.3206 0 0 8 2 71.58 5.73 1.3182 7 1 3 8 71.81 2.60 1.3145 4 0 7 4 72.05 9.61 1.3107 6 2 0 4 72.06 1.68 1.3107 1 0 8 4 72.64 4.41 1.3016 0 2 6 4 72.96 3.62 1.2967 8 0 2 4 73.26 4.68 1.2921 1 2 6 8 73.71 13.10 1.2854 6 1 5 8 73.88 3.81 1.2827 5 1 6 8 74.13 1.16 1.2790 0 3 1 4 74.75 2.28 1.2700 1 3 1 8 75.11 2.85 1.2648 2 2 6 8 75.16 1.88 1.2641 8 1 0 4 75.41 1.79 1.2605 5 2 4 8 75.55 1.85 1.2585 4 2 5 8 75.79 5.75 1.2551 8 1 1 8 75.94 3.71 1.2530 6 0 6 4 75.96 1.74 1.2527 2 3 0 4 76.03 4.51 1.2518 7 1 4 8 76.55 10.43 1.2445 4 1 7 8 76.59 2.84 1.2440 2 3 1 8 76.64 5.20 1.2433 1 3 2 8 76.79 5.69 1.2413 1 1 8 8 78.47 3.26 1.2189 2 3 2 8 79.15 2.21 1.2101 0 3 3 4 79.76 2.86 1.2024 1 3 3 8 81.46 4.34 1.1815 9 0 1 4 81.49 1.52 1.1812 3 3 2 8 82.39 3.50 1.1705 4 2 6 8 82.70 1.70 1.1669 1 0 9 4 83.20 2.96 1.1612 2 2 7 8 83.22 1.43 1.1609 4 3 0 4 83.80 2.02 1.1544 7 0 6 4 83.84 4.19 1.1539 4 3 1 8 84.07 1.75 1.1513 1 3 4 8 85.08 1.03 1.1402 8 1 4 8 85.56 5.87 1.1350 7 2 3 8 85.68 2.96 1.1338 4 3 2 8 85.86 1.26 1.1318 2 3 4 8 86.68 4.10 1.1232 0 1 9 4 87.48 1.87 1.1151 3 0 9 4 88.37 1.37 1.1061 7 1 6 8 88.84 8.05 1.1015 3 3 4 8 88.98 3.66 1.1001 0 3 5 4 89.20 1.96 1.0979 5 3 1 8 89.84 1.58 1.0918 7 2 4 8 89.98 1.37 1.0904 0 2 8 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.