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 = 2.43 GPa _database_code_amcsd 0009006 CELL PARAMETERS: 10.9870 3.9353 10.9030 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 471.415 Density (g/cm3): 7.243 MAX. ABS. INTENSITY / VOLUME**2: 96.67367730 RIR: 4.346 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 16.13 21.12 5.4935 2 0 0 2 16.26 8.37 5.4515 0 0 2 2 18.08 14.08 4.9060 2 0 1 4 18.17 10.91 4.8834 1 0 2 4 22.98 63.52 3.8696 2 0 2 4 24.04 29.95 3.7016 0 1 1 4 25.39 52.22 3.5078 1 1 1 8 25.66 97.07 3.4717 3 0 1 4 25.82 82.96 3.4505 1 0 3 4 27.89 28.87 3.1992 2 1 0 4 29.09 47.85 3.0697 2 1 1 8 29.14 100.00 3.0642 1 1 2 8 29.38 7.11 3.0400 3 0 2 4 29.47 12.82 3.0311 2 0 3 4 32.45 66.41 2.7591 2 1 2 8 32.60 3.25 2.7468 4 0 0 2 33.57 33.67 2.6699 0 1 3 4 33.65 1.49 2.6635 4 0 1 4 33.88 5.21 2.6456 1 0 4 4 34.57 31.02 2.5944 1 1 3 8 34.78 1.54 2.5797 3 0 3 4 36.63 36.02 2.4530 4 0 2 4 36.81 14.23 2.4417 2 0 4 4 37.38 16.01 2.4058 3 1 2 8 40.03 20.42 2.2524 4 1 0 4 40.91 41.26 2.2058 4 1 1 8 41.11 14.30 2.1955 1 1 4 8 41.20 5.26 2.1913 4 0 3 4 41.87 1.01 2.1575 3 1 3 8 42.25 3.46 2.1389 1 0 5 4 43.47 14.41 2.0817 4 1 2 8 43.62 12.94 2.0748 2 1 4 8 44.45 4.30 2.0381 5 0 2 4 44.71 10.15 2.0268 2 0 5 4 46.13 33.84 1.9677 0 2 0 2 46.96 5.04 1.9348 4 0 4 4 47.49 1.00 1.9145 4 1 3 8 47.57 57.02 1.9114 3 1 4 8 47.68 26.98 1.9074 0 1 5 4 48.16 11.93 1.8895 5 1 1 8 48.41 15.98 1.8804 5 0 3 4 48.44 2.45 1.8792 1 1 5 8 48.59 16.82 1.8736 3 0 5 4 49.19 2.30 1.8524 2 2 0 4 49.80 14.79 1.8312 6 0 0 2 49.94 1.67 1.8262 2 2 1 8 49.97 1.42 1.8251 1 2 2 8 50.21 6.65 1.8172 0 0 6 2 50.43 15.82 1.8098 5 1 2 8 50.94 6.63 1.7928 1 0 6 4 52.15 12.77 1.7539 2 2 2 8 52.72 1.50 1.7363 4 1 4 8 52.73 1.11 1.7359 6 0 2 4 53.08 4.41 1.7252 2 0 6 4 53.53 23.21 1.7118 3 2 1 8 53.57 1.08 1.7107 5 0 4 4 53.62 20.60 1.7093 1 2 3 8 53.67 3.87 1.7078 4 0 5 4 54.05 6.73 1.6967 5 1 3 8 54.22 1.55 1.6917 3 1 5 8 55.34 3.53 1.6602 6 1 0 4 55.64 1.74 1.6518 3 2 2 8 55.69 3.59 1.6504 2 2 3 8 56.03 4.77 1.6413 6 1 1 8 56.40 3.21 1.6315 1 1 6 8 57.63 1.18 1.5996 4 2 0 4 58.46 2.07 1.5788 1 2 4 8 58.86 1.36 1.5689 5 1 4 8 60.30 14.27 1.5349 4 2 2 8 60.42 5.65 1.5321 2 2 4 8 61.15 3.89 1.5155 4 0 6 4 61.39 3.77 1.5101 6 1 3 8 61.66 2.88 1.5042 3 1 6 8 61.92 5.24 1.4985 2 0 7 4 63.55 2.47 1.4640 4 2 3 8 64.33 1.76 1.4481 1 2 5 8 64.48 7.08 1.4450 7 1 1 8 64.69 8.43 1.4409 7 0 3 4 65.99 2.27 1.4156 5 2 2 8 66.06 1.09 1.4143 4 1 6 8 66.19 5.22 1.4118 2 2 5 8 66.37 5.58 1.4084 7 1 2 8 66.80 13.30 1.4004 2 1 7 8 66.80 1.16 1.4004 5 0 6 4 67.95 2.86 1.3796 4 2 4 8 68.90 1.65 1.3629 0 0 8 2 69.05 3.36 1.3602 7 0 4 4 69.09 9.54 1.3594 5 2 3 8 69.24 9.96 1.3569 3 2 5 8 69.36 1.12 1.3549 4 0 7 4 69.50 1.43 1.3525 1 0 8 4 70.21 9.10 1.3405 6 2 0 4 70.55 4.17 1.3350 0 2 6 4 70.74 1.83 1.3318 8 0 2 4 71.14 4.11 1.3252 1 2 6 8 71.41 13.10 1.3209 6 1 5 8 71.51 2.49 1.3193 5 1 6 8 72.59 1.10 1.3024 0 3 1 4 72.92 3.01 1.2972 2 2 6 8 73.18 2.12 1.2933 1 3 1 8 73.41 3.20 1.2899 6 0 6 4 73.41 2.59 1.2898 4 2 5 8 73.56 4.42 1.2876 8 1 1 8 73.69 2.46 1.2856 7 1 4 8 73.99 12.56 1.2811 4 1 7 8 74.13 5.83 1.2791 1 1 8 8 74.35 1.27 1.2759 2 3 0 4 74.94 2.69 1.2672 2 3 1 8 74.97 5.10 1.2669 1 3 2 8 75.34 3.56 1.2615 8 1 2 8 76.71 3.91 1.2423 2 3 2 8 77.34 2.09 1.2339 0 3 3 4 77.91 2.08 1.2261 1 3 3 8 78.91 4.20 1.2132 9 0 1 4 79.00 1.79 1.2120 7 1 5 8 79.59 1.35 1.2044 3 3 2 8 79.62 1.52 1.2041 1 0 9 4 79.89 3.17 1.2007 4 2 6 8 80.58 4.21 1.1921 2 2 7 8 80.94 1.17 1.1878 7 0 6 4 81.28 1.89 1.1837 4 3 0 4 81.85 4.13 1.1768 4 3 1 8 81.99 1.50 1.1752 1 3 4 8 82.35 2.06 1.1709 8 1 4 8 83.08 7.32 1.1625 7 2 3 8 83.46 1.72 1.1582 5 0 8 4 83.49 3.88 1.1578 0 1 9 4 83.59 1.54 1.1568 4 3 2 8 83.69 1.41 1.1556 2 3 4 8 84.18 2.09 1.1502 3 0 9 4 85.02 1.01 1.1409 5 2 6 8 85.37 2.52 1.1372 7 1 6 8 86.52 7.74 1.1249 3 3 4 8 86.60 3.63 1.1241 0 3 5 4 86.96 1.59 1.1204 5 3 1 8 86.96 1.57 1.1204 0 2 8 4 87.10 3.16 1.1189 7 2 4 8 87.39 1.04 1.1159 4 2 7 8 87.52 1.33 1.1146 1 2 8 8 87.87 3.32 1.1111 5 1 8 8 88.14 1.02 1.1084 4 0 9 4 88.68 2.45 1.1030 5 3 2 8 88.69 1.79 1.1029 8 2 2 8 89.68 1.05 1.0933 6 0 8 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.