Samsonite Bindi L, Evain M American Mineralogist 92 (2007) 886-891 Gram-Charlier development of the atomic displacement factors into mineral structures: The case of samsonite, Ag4MnSb2S6 Locality: St. Andreasberg, Hartz Mountains, Germany Sample: T = 300 K, refined using Gram-Charlier displacement factors _database_code_amcsd 0004358 CELL PARAMETERS: 10.3861 8.1108 6.6630 90.000 92.639 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 560.693 Density (g/cm3): 5.462 MAX. ABS. INTENSITY / VOLUME**2: 28.29435399 RIR: 1.687 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.86 22.78 6.3899 1 1 0 4 15.48 2.90 5.7232 -1 0 1 2 16.15 22.35 5.4885 1 0 1 2 17.23 4.42 5.1452 0 1 1 4 20.32 4.14 4.3701 2 1 0 4 21.92 15.05 4.0554 0 2 0 2 23.55 20.47 3.7771 1 2 0 4 23.92 1.58 3.7199 -2 1 1 4 24.80 4.24 3.5898 2 1 1 4 25.72 9.29 3.4632 0 2 1 4 26.79 8.39 3.3280 0 0 2 2 26.95 22.08 3.3089 -1 2 1 4 27.34 24.27 3.2616 1 2 1 4 27.93 100.00 3.1950 2 2 0 4 28.05 39.21 3.1812 3 1 0 4 28.53 23.37 3.1283 -3 0 1 2 29.00 9.98 3.0789 0 1 2 4 29.65 92.99 3.0126 3 0 1 2 29.92 95.26 2.9865 -1 1 2 4 30.63 19.22 2.9187 -3 1 1 4 30.64 13.35 2.9179 1 1 2 4 30.70 22.54 2.9127 -2 2 1 4 31.26 64.24 2.8616 -2 0 2 2 31.40 9.59 2.8490 2 2 1 4 31.68 39.04 2.8241 3 1 1 4 32.63 32.19 2.7443 2 0 2 2 33.20 28.70 2.6986 -2 1 2 4 34.07 1.17 2.6314 3 2 0 4 34.28 21.77 2.6162 1 3 0 4 34.50 13.85 2.5995 2 1 2 4 34.58 21.04 2.5938 4 0 0 2 34.87 33.27 2.5726 0 2 2 4 35.66 13.09 2.5180 -1 2 2 4 35.85 32.05 2.5048 0 3 1 4 36.27 4.45 2.4770 -3 2 1 4 36.27 8.79 2.4765 1 2 2 4 36.77 57.99 2.4446 -1 3 1 4 37.07 1.58 2.4253 1 3 1 4 37.18 19.68 2.4183 3 2 1 4 37.51 1.73 2.3975 2 3 0 4 38.30 3.00 2.3500 -4 1 1 4 38.30 1.11 2.3498 -3 1 2 4 38.50 9.92 2.3381 -2 2 2 4 40.03 7.76 2.2524 3 1 2 4 40.25 3.27 2.2405 2 3 1 4 41.32 14.22 2.1851 4 2 0 4 42.04 2.46 2.1494 1 0 3 2 43.07 18.54 2.1003 -4 2 1 4 43.07 1.31 2.1002 -3 2 2 4 43.11 3.48 2.0984 0 3 2 4 43.22 1.68 2.0931 -4 0 2 2 43.56 17.73 2.0777 1 1 3 4 44.12 5.27 2.0526 4 2 1 4 44.29 13.38 2.0453 1 3 2 4 44.64 4.95 2.0298 3 2 2 4 44.69 5.15 2.0277 0 4 0 2 45.06 2.61 2.0121 3 3 1 4 45.11 4.18 2.0100 -2 1 3 4 45.17 10.58 2.0074 -5 0 1 2 45.31 1.37 2.0016 4 0 2 2 45.58 9.99 1.9900 1 4 0 4 46.19 1.92 1.9652 -2 3 2 4 46.43 8.78 1.9556 5 0 1 2 46.62 11.33 1.9480 2 1 3 4 46.67 1.53 1.9464 0 2 3 4 46.74 1.06 1.9433 4 1 2 4 46.84 6.47 1.9397 0 4 1 4 47.19 14.85 1.9260 2 3 2 4 47.58 3.47 1.9113 -1 4 1 4 47.67 2.95 1.9077 -3 0 3 2 47.90 3.03 1.8992 1 2 3 4 48.18 2.72 1.8886 2 4 0 4 48.65 6.43 1.8717 4 3 0 4 48.97 3.98 1.8599 -4 2 2 4 49.05 13.72 1.8571 -3 1 3 4 49.33 4.10 1.8473 5 2 0 4 49.34 12.01 1.8471 -2 2 3 4 49.84 9.19 1.8295 3 0 3 2 49.98 13.69 1.8249 -2 4 1 4 50.19 20.20 1.8176 -3 3 2 4 50.75 21.68 1.7991 -5 2 1 4 51.13 1.06 1.7864 4 3 1 4 51.18 4.71 1.7847 3 1 3 4 51.60 17.75 1.7713 3 3 2 4 51.91 11.85 1.7615 5 2 1 4 52.09 11.23 1.7557 -5 1 2 4 52.30 3.47 1.7492 3 4 0 4 52.95 10.13 1.7292 6 0 0 2 53.42 2.97 1.7151 0 3 3 4 53.44 2.90 1.7147 -1 4 2 4 53.89 4.83 1.7014 1 4 2 4 54.35 2.42 1.6879 -4 1 3 4 54.36 5.84 1.6877 5 1 2 4 54.55 2.51 1.6822 3 4 1 4 55.07 2.72 1.6677 3 2 3 4 55.20 1.23 1.6640 0 0 4 2 55.55 4.81 1.6545 -2 4 2 4 55.85 9.20 1.6461 5 3 0 4 56.42 1.78 1.6308 2 4 2 4 56.45 13.87 1.6300 0 1 4 4 57.16 3.95 1.6114 2 3 3 4 57.27 2.53 1.6087 4 3 2 4 57.37 1.72 1.6061 -2 0 4 2 57.64 2.51 1.5993 1 1 4 4 58.59 4.90 1.5755 -2 1 4 4 59.20 5.05 1.5607 -1 5 1 4 59.28 4.87 1.5588 -3 3 3 4 59.41 9.12 1.5556 1 5 1 4 59.73 3.37 1.5482 2 5 0 4 59.93 9.62 1.5435 4 4 1 4 60.10 2.18 1.5394 0 2 4 4 60.26 1.50 1.5359 -6 1 2 4 60.35 1.77 1.5337 3 4 2 4 60.41 2.13 1.5325 6 2 1 4 60.62 1.77 1.5275 4 2 3 4 60.78 7.61 1.5239 -5 1 3 4 61.17 1.70 1.5152 3 3 3 4 61.25 4.76 1.5134 1 2 4 4 61.82 2.74 1.5008 -3 1 4 4 62.00 1.54 1.4968 0 4 3 4 62.16 4.00 1.4933 -2 2 4 4 62.41 2.30 1.4880 -1 4 3 4 62.74 3.45 1.4810 6 1 2 4 63.02 2.52 1.4750 1 4 3 4 63.77 1.52 1.4594 -6 2 2 4 63.79 2.96 1.4590 2 2 4 4 63.86 3.96 1.4577 5 1 3 4 63.92 1.27 1.4564 -4 4 2 4 64.01 1.45 1.4546 -4 3 3 4 64.34 1.67 1.4480 -1 5 2 4 64.73 2.00 1.4401 -3 5 1 4 64.84 2.31 1.4379 -7 1 1 4 65.01 4.81 1.4347 -6 3 1 4 65.43 1.61 1.4263 2 4 3 4 65.53 1.05 1.4245 4 4 2 4 65.91 2.79 1.4171 0 3 4 4 66.18 3.49 1.4120 6 2 2 4 66.21 3.54 1.4115 -1 3 4 4 66.23 3.44 1.4112 -2 5 2 4 66.34 1.61 1.4091 -4 1 4 4 66.41 1.91 1.4077 4 3 3 4 67.02 1.47 1.3964 2 5 2 4 67.25 2.40 1.3921 7 2 0 4 68.19 7.95 1.3753 4 5 0 4 69.16 1.09 1.3583 -7 1 2 4 69.48 1.34 1.3529 4 1 4 4 70.87 1.69 1.3297 -3 3 4 4 71.74 1.15 1.3156 -1 6 1 4 71.83 1.38 1.3142 -4 4 3 4 72.45 1.95 1.3045 -7 2 2 4 72.51 2.72 1.3036 -1 5 3 4 72.76 1.36 1.2998 4 2 4 4 73.01 1.49 1.2959 1 1 5 4 73.92 1.17 1.2822 -4 5 2 4 75.11 2.18 1.2648 0 2 5 4 75.28 1.11 1.2623 -5 2 4 4 75.33 1.79 1.2617 -5 5 1 4 75.34 1.35 1.2615 2 5 3 4 75.43 3.23 1.2603 4 5 2 4 76.37 1.33 1.2471 8 1 1 4 76.38 1.01 1.2470 -3 1 5 4 76.55 1.56 1.2446 -7 1 3 4 76.82 1.66 1.2409 -3 6 1 4 76.88 2.36 1.2400 -6 3 3 4 77.01 2.62 1.2382 2 4 4 4 77.23 4.85 1.2353 8 2 0 4 77.81 1.03 1.2276 -6 0 4 2 78.86 3.10 1.2138 -8 1 2 4 78.86 1.11 1.2138 3 5 3 4 78.95 1.82 1.2127 2 6 2 4 79.16 2.46 1.2099 3 1 5 4 80.24 1.18 1.1964 5 4 3 4 80.40 2.95 1.1944 7 3 2 4 80.76 2.57 1.1900 8 0 2 2 81.14 1.27 1.1854 -7 4 1 4 81.33 1.53 1.1831 6 5 0 4 81.42 1.11 1.1819 -4 5 3 4 82.23 1.27 1.1723 6 0 4 2 82.51 4.60 1.1691 -4 4 4 4 83.28 2.64 1.1603 6 1 4 4 84.16 1.15 1.1504 -1 6 3 4 84.24 1.29 1.1494 5 3 4 4 84.71 3.15 1.1443 1 6 3 4 84.93 1.63 1.1418 8 2 2 4 85.14 1.50 1.1396 -7 4 2 4 85.51 4.33 1.1356 -1 7 1 4 85.71 3.83 1.1334 -5 1 5 4 86.42 1.66 1.1260 -6 5 2 4 87.51 2.48 1.1147 6 4 3 4 87.68 1.30 1.1130 2 7 1 4 87.86 1.18 1.1111 -5 4 4 4 87.88 2.78 1.1110 -1 4 5 4 88.09 1.10 1.1089 9 2 0 4 88.69 2.79 1.1030 -3 6 3 4 89.08 1.69 1.0991 0 1 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.