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 = .97 GPa _database_code_amcsd 0009005 CELL PARAMETERS: 11.1360 3.9574 11.0350 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 486.308 Density (g/cm3): 7.022 MAX. ABS. INTENSITY / VOLUME**2: 92.56340338 RIR: 4.292 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.29 2.10 7.8384 1 0 1 4 15.92 24.59 5.5680 2 0 0 2 16.06 8.76 5.5175 0 0 2 2 17.84 20.83 4.9710 2 0 1 4 17.94 9.41 4.9439 1 0 2 4 22.69 58.96 3.9192 2 0 2 4 23.89 29.49 3.7251 0 1 1 4 25.21 51.76 3.5327 1 1 1 8 25.31 95.58 3.5183 3 0 1 4 25.50 85.32 3.4927 1 0 3 4 27.65 25.92 3.2257 2 1 0 4 28.84 46.15 3.0961 2 1 1 8 28.90 100.00 3.0895 1 1 2 8 28.99 8.71 3.0799 3 0 2 4 29.10 13.21 3.0691 2 0 3 4 32.14 72.72 2.7847 2 1 2 8 32.15 1.99 2.7840 4 0 0 2 33.25 34.11 2.6942 0 1 3 4 33.46 5.59 2.6778 1 0 4 4 34.24 27.98 2.6187 1 1 3 8 34.32 1.46 2.6128 3 0 3 4 36.14 38.45 2.4855 4 0 2 4 36.34 12.90 2.4720 2 0 4 4 36.98 16.00 2.4305 3 1 2 8 39.58 22.58 2.2770 4 1 0 4 40.45 39.51 2.2300 4 1 1 8 40.64 5.27 2.2199 4 0 3 4 40.68 13.07 2.2178 1 1 4 8 40.75 1.50 2.2142 3 0 4 4 41.41 1.46 2.1804 3 1 3 8 41.72 3.49 2.1649 1 0 5 4 42.97 10.66 2.1048 4 1 2 8 43.15 13.81 2.0966 2 1 4 8 43.84 6.59 2.0653 5 0 2 4 44.14 9.43 2.0517 2 0 5 4 45.86 33.19 1.9787 0 2 0 2 46.33 5.71 1.9596 4 0 4 4 46.93 1.50 1.9361 4 1 3 8 47.03 55.70 1.9323 3 1 4 8 47.15 27.42 1.9275 0 1 5 4 47.57 11.27 1.9116 5 1 1 8 47.74 12.64 1.9052 5 0 3 4 47.90 2.72 1.8993 1 1 5 8 47.96 16.95 1.8970 3 0 5 4 48.85 2.59 1.8645 2 2 0 4 49.08 14.00 1.8560 6 0 0 2 49.56 6.43 1.8392 0 0 6 2 49.59 2.39 1.8384 2 2 1 8 49.63 1.16 1.8370 1 2 2 8 49.80 13.47 1.8309 5 1 2 8 50.28 6.24 1.8146 1 0 6 4 51.76 11.53 1.7663 2 2 2 8 51.98 1.16 1.7591 6 0 2 4 52.39 4.17 1.7464 2 0 6 4 52.94 4.26 1.7295 4 0 5 4 53.10 22.08 1.7247 3 2 1 8 53.20 20.47 1.7216 1 2 3 8 53.37 10.51 1.7166 5 1 3 8 53.57 2.52 1.7106 3 1 5 8 54.62 6.91 1.6804 6 1 0 4 55.17 2.13 1.6647 3 2 2 8 55.23 3.61 1.6630 2 2 3 8 55.30 4.02 1.6612 6 1 1 8 55.45 1.32 1.6570 6 0 3 4 55.73 3.41 1.6495 1 1 6 8 57.95 2.15 1.5914 1 2 4 8 58.11 1.49 1.5874 5 1 4 8 59.73 14.82 1.5481 4 2 2 8 59.87 5.00 1.5448 2 2 4 8 60.31 3.57 1.5345 4 0 6 4 60.58 3.78 1.5284 6 1 3 8 60.89 2.89 1.5213 3 1 6 8 61.09 6.04 1.5168 2 0 7 4 62.92 2.41 1.4771 4 2 3 8 63.60 6.73 1.4630 7 1 1 8 63.72 1.73 1.4605 1 2 5 8 63.74 8.36 1.4601 7 0 3 4 65.21 1.41 1.4307 4 1 6 8 65.31 3.39 1.4288 5 2 2 8 65.46 5.34 1.4259 7 1 2 8 65.54 4.74 1.4243 2 2 5 8 65.86 1.53 1.4181 5 0 6 4 65.95 12.38 1.4163 2 1 7 8 67.24 3.14 1.3923 4 2 4 8 67.96 1.68 1.3794 0 0 8 2 68.03 3.88 1.3781 7 0 4 4 68.35 7.35 1.3724 5 2 3 8 68.52 9.75 1.3694 3 2 5 8 68.55 1.42 1.3689 1 0 8 4 69.43 8.33 1.3537 6 2 0 4 69.82 3.90 1.3471 0 2 6 4 70.40 3.75 1.3374 1 2 6 8 70.43 11.68 1.3370 6 1 5 8 70.54 1.75 1.3350 5 1 6 8 72.11 1.02 1.3098 0 3 1 4 72.14 2.76 1.3093 2 2 6 8 72.33 2.77 1.3064 6 0 6 4 72.49 3.01 1.3039 8 1 1 8 72.60 2.76 1.3022 4 2 5 8 72.65 1.49 1.3015 7 1 4 8 72.69 2.00 1.3008 1 3 1 8 73.00 12.96 1.2961 4 1 7 8 73.15 5.57 1.2937 1 1 8 8 73.82 1.09 1.2836 2 3 0 4 74.24 4.96 1.2775 8 1 2 8 74.41 2.46 1.2750 2 3 1 8 74.44 4.89 1.2745 1 3 2 8 76.14 4.12 1.2502 2 3 2 8 76.76 2.04 1.2417 0 3 3 4 77.32 1.77 1.2341 1 3 3 8 77.65 3.61 1.2296 9 0 1 4 77.85 2.14 1.2269 7 1 5 8 78.48 1.47 1.2187 1 0 9 4 78.95 2.82 1.2126 4 2 6 8 78.95 1.29 1.2126 3 3 2 8 79.64 4.72 1.2038 2 2 7 8 80.59 2.02 1.1921 4 3 0 4 81.11 2.56 1.1857 8 1 4 8 81.15 3.74 1.1852 4 3 1 8 81.31 1.32 1.1833 1 3 4 8 82.02 6.98 1.1749 7 2 3 8 82.20 1.96 1.1727 5 0 8 4 82.33 3.66 1.1712 0 1 9 4 82.85 1.07 1.1652 4 3 2 8 82.93 2.05 1.1642 3 0 9 4 82.97 1.44 1.1638 2 3 4 8 83.95 1.28 1.1527 5 2 6 8 84.09 2.84 1.1512 7 1 6 8 85.73 7.10 1.1333 3 3 4 8 85.82 3.48 1.1323 0 3 5 4 85.89 1.54 1.1316 0 2 8 4 85.95 3.53 1.1309 7 2 4 8 86.13 1.41 1.1290 5 3 1 8 86.44 1.28 1.1258 1 2 8 8 86.57 2.38 1.1244 5 1 8 8 87.81 1.98 1.1117 5 3 2 8 89.86 1.45 1.0916 10 0 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.