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 = 100 K _database_code_amcsd 0004356 CELL PARAMETERS: 10.3702 8.0647 6.6400 90.000 92.676 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 554.715 Density (g/cm3): 5.521 MAX. ABS. INTENSITY / VOLUME**2: 31.94223021 RIR: 1.884 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.92 24.44 6.3636 1 1 0 4 15.52 2.31 5.7082 -1 0 1 2 16.20 24.63 5.4710 1 0 1 2 17.31 2.50 5.1228 0 1 1 4 20.38 2.63 4.3581 2 1 0 4 22.04 10.66 4.0324 0 2 0 2 23.68 27.36 3.7577 1 2 0 4 24.88 6.27 3.5783 2 1 1 4 25.86 6.90 3.4456 0 2 1 4 26.88 6.68 3.3164 0 0 2 2 27.07 20.04 3.2935 -1 2 1 4 27.48 21.03 3.2460 1 2 1 4 28.04 98.22 3.1818 2 2 0 4 28.11 37.21 3.1742 3 1 0 4 28.58 26.39 3.1231 -3 0 1 2 29.11 9.78 3.0672 0 1 2 4 29.72 80.89 3.0058 3 0 1 2 30.03 100.00 2.9762 -1 1 2 4 30.70 17.88 2.9123 -3 1 1 4 30.76 12.34 2.9070 1 1 2 4 30.82 24.41 2.9014 -2 2 1 4 31.34 65.22 2.8541 -2 0 2 2 31.53 12.66 2.8372 2 2 1 4 31.77 41.19 2.8166 3 1 1 4 32.74 31.10 2.7355 2 0 2 2 33.30 24.83 2.6906 -2 1 2 4 34.19 2.29 2.6228 3 2 0 4 34.47 20.72 2.6020 1 3 0 4 34.63 15.36 2.5905 2 1 2 4 34.64 21.04 2.5897 4 0 0 2 35.03 34.91 2.5614 0 2 2 4 35.81 16.96 2.5077 -1 2 2 4 36.05 22.35 2.4914 0 3 1 4 36.39 3.07 2.4691 -3 2 1 4 36.44 10.29 2.4659 1 2 2 4 36.96 60.63 2.4320 -1 3 1 4 37.27 2.14 2.4127 1 3 1 4 37.31 21.10 2.4099 3 2 1 4 37.70 2.96 2.3860 2 3 0 4 38.38 1.80 2.3455 -4 1 1 4 38.40 1.75 2.3439 -3 1 2 4 38.65 8.51 2.3296 -2 2 2 4 39.56 1.47 2.2783 4 1 1 4 39.82 1.98 2.2638 2 2 2 4 40.16 10.98 2.2455 3 1 2 4 40.45 1.82 2.2299 2 3 1 4 41.44 17.42 2.1790 4 2 0 4 42.19 2.30 2.1419 1 0 3 2 43.19 23.03 2.0947 -4 2 1 4 43.31 1.85 2.0890 -4 0 2 2 43.33 3.51 2.0883 0 3 2 4 43.73 17.69 2.0701 1 1 3 4 44.26 6.79 2.0465 4 2 1 4 44.51 21.31 2.0356 1 3 2 4 44.81 4.18 2.0226 3 2 2 4 44.96 5.11 2.0162 0 4 0 2 45.24 9.92 2.0044 -5 0 1 2 45.25 2.90 2.0038 3 3 1 4 45.26 4.14 2.0037 -2 1 3 4 45.43 2.50 1.9964 4 0 2 2 45.85 13.30 1.9790 1 4 0 4 46.40 1.32 1.9569 -2 3 2 4 46.53 11.01 1.9518 5 0 1 2 46.80 11.35 1.9412 2 1 3 4 47.11 8.82 1.9290 0 4 1 4 47.42 15.09 1.9174 2 3 2 4 47.80 2.71 1.9027 -3 0 3 2 47.85 3.87 1.9011 -1 4 1 4 48.10 4.15 1.8916 1 2 3 4 48.45 4.69 1.8788 2 4 0 4 48.83 7.21 1.8651 4 3 0 4 49.12 6.47 1.8549 -4 2 2 4 49.20 15.27 1.8519 -3 1 3 4 49.46 4.88 1.8428 5 2 0 4 49.52 11.52 1.8405 -2 2 3 4 50.01 10.13 1.8237 3 0 3 2 50.25 14.84 1.8158 -2 4 1 4 50.40 22.29 1.8107 -3 3 2 4 50.87 25.59 1.7949 -5 2 1 4 51.33 2.14 1.7799 4 3 1 4 51.37 5.76 1.7788 3 1 3 4 51.83 16.40 1.7641 3 3 2 4 52.06 10.12 1.7568 5 2 1 4 52.20 12.81 1.7523 -5 1 2 4 52.56 3.67 1.7411 3 4 0 4 53.04 13.05 1.7265 6 0 0 2 53.16 1.26 1.7228 0 4 2 4 53.68 2.74 1.7076 0 3 3 4 53.72 4.14 1.7062 -1 4 2 4 54.18 4.46 1.6928 1 4 2 4 54.50 3.63 1.6837 -4 1 3 4 54.51 7.93 1.6834 5 1 2 4 54.83 1.97 1.6744 3 4 1 4 55.28 2.35 1.6616 3 2 3 4 55.41 1.57 1.6582 0 0 4 2 55.55 1.56 1.6542 -6 1 1 4 55.83 6.56 1.6467 -2 4 2 4 56.04 9.23 1.6410 5 3 0 4 56.67 15.85 1.6242 0 1 4 4 56.72 1.75 1.6230 2 4 2 4 57.43 5.19 1.6046 2 3 3 4 57.50 3.85 1.6028 4 3 2 4 57.57 2.13 1.6011 -2 0 4 2 57.87 4.28 1.5935 1 1 4 4 57.97 1.07 1.5909 4 4 0 4 58.43 1.31 1.5794 5 3 1 4 58.80 6.11 1.5704 -2 1 4 4 59.28 1.03 1.5588 -6 2 1 4 59.52 5.98 1.5531 -3 3 3 4 59.56 4.99 1.5522 -1 5 1 4 59.77 11.76 1.5471 1 5 1 4 60.08 3.55 1.5400 2 5 0 4 60.21 13.06 1.5370 4 4 1 4 60.36 3.95 1.5336 0 2 4 4 60.38 2.19 1.5331 -6 1 2 4 60.57 3.04 1.5288 6 2 1 4 60.65 1.39 1.5268 3 4 2 4 60.85 2.21 1.5223 4 2 3 4 60.93 9.15 1.5205 -5 1 3 4 61.44 2.51 1.5092 3 3 3 4 61.51 4.46 1.5076 1 2 4 4 62.02 4.19 1.4963 -3 1 4 4 62.40 6.10 1.4881 -2 2 4 4 62.73 2.92 1.4812 -1 4 3 4 62.90 4.05 1.4775 6 1 2 4 63.35 3.13 1.4681 1 4 3 4 63.93 2.32 1.4562 -6 2 2 4 63.96 1.44 1.4555 7 1 0 4 64.06 5.39 1.4535 5 1 3 4 64.06 3.23 1.4535 2 2 4 4 64.10 1.64 1.4527 6 3 0 4 64.20 1.16 1.4507 -4 4 2 4 64.25 1.78 1.4498 -4 3 3 4 64.71 2.65 1.4405 -1 5 2 4 64.96 1.78 1.4356 -7 1 1 4 65.09 3.11 1.4331 -3 5 1 4 65.20 3.87 1.4308 -6 3 1 4 65.77 3.07 1.4199 2 4 3 4 65.84 2.54 1.4186 4 4 2 4 66.22 2.98 1.4113 0 3 4 4 66.38 5.48 1.4083 6 2 2 4 66.51 6.26 1.4059 -1 3 4 4 66.54 1.73 1.4052 -4 1 4 4 66.60 4.17 1.4042 -2 5 2 4 66.69 2.80 1.4025 4 3 3 4 67.40 1.92 1.3894 2 5 2 4 67.41 2.92 1.3892 7 2 0 4 67.71 1.27 1.3838 -3 4 3 4 68.54 10.15 1.3691 4 5 0 4 69.30 2.06 1.3559 -7 1 2 4 69.74 1.55 1.3485 4 1 4 4 69.82 1.11 1.3471 -3 5 2 4 71.16 1.64 1.3250 -3 3 4 4 72.15 2.03 1.3093 -4 4 3 4 72.21 1.16 1.3083 -1 6 1 4 72.62 2.54 1.3019 -7 2 2 4 72.68 1.08 1.3010 2 6 0 4 72.92 4.08 1.2973 -1 5 3 4 73.05 3.02 1.2953 4 2 4 4 73.05 1.82 1.2952 -6 4 1 4 73.31 2.03 1.2913 1 1 5 4 74.29 1.33 1.2767 -4 5 2 4 74.48 1.84 1.2739 2 6 1 4 75.32 1.38 1.2618 7 2 2 4 75.44 2.36 1.2601 0 2 5 4 75.52 1.06 1.2589 -5 2 4 4 75.69 2.78 1.2566 -5 5 1 4 75.76 1.51 1.2555 2 5 3 4 75.77 1.03 1.2554 2 1 5 4 75.83 3.71 1.2546 4 5 2 4 76.53 1.91 1.2448 8 1 1 4 76.66 1.42 1.2431 -3 1 5 4 76.72 1.63 1.2422 -7 1 3 4 77.13 3.62 1.2366 -6 3 3 4 77.28 1.78 1.2346 -3 6 1 4 77.28 1.56 1.2346 -6 4 2 4 77.40 4.80 1.2329 2 4 4 4 77.41 7.45 1.2329 8 2 0 4 77.95 2.02 1.2257 -8 0 2 2 78.01 1.23 1.2248 -6 0 4 2 79.01 3.85 1.2118 -8 1 2 4 79.30 1.70 1.2082 3 5 3 4 79.44 2.64 1.2064 2 6 2 4 79.49 3.50 1.2057 3 1 5 4 79.93 1.27 1.2002 -7 2 3 4 80.51 1.16 1.1930 7 4 0 4 80.60 2.01 1.1919 5 4 3 4 80.67 4.97 1.1910 7 3 2 4 80.96 3.92 1.1875 8 0 2 2 81.42 2.10 1.1819 -7 4 1 4 81.70 1.80 1.1786 6 5 0 4 81.70 1.04 1.1786 -4 6 1 4 81.83 2.11 1.1771 -4 5 3 4 81.90 1.50 1.1763 1 3 5 4 82.02 1.26 1.1749 8 1 2 4 82.26 2.29 1.1720 -6 2 4 4 82.52 2.09 1.1690 6 0 4 2 82.67 1.24 1.1672 3 2 5 4 82.88 7.77 1.1648 -4 4 4 4 83.58 4.08 1.1569 6 1 4 4 84.28 1.34 1.1490 2 3 5 4 84.32 2.19 1.1485 0 6 3 4 84.61 2.37 1.1454 5 3 4 4 84.68 1.46 1.1446 -1 6 3 4 85.18 1.31 1.1392 8 2 2 4 85.24 3.93 1.1385 1 6 3 4 85.45 1.45 1.1363 -7 4 2 4 85.56 1.51 1.1351 0 7 1 4 86.00 5.21 1.1304 -5 1 5 4 86.00 1.21 1.1303 -4 6 2 4 86.10 5.75 1.1293 -1 7 1 4 86.81 2.79 1.1219 -6 5 2 4 87.90 2.92 1.1107 6 4 3 4 87.91 1.33 1.1106 -2 7 1 4 88.28 2.22 1.1069 2 7 1 4 88.30 1.98 1.1068 9 2 0 4 88.33 4.60 1.1065 -1 4 5 4 89.10 1.45 1.0989 7 3 3 4 89.13 1.36 1.0986 -4 3 5 4 89.21 3.04 1.0978 -3 6 3 4 89.22 1.03 1.0977 -8 2 3 4 89.48 2.34 1.0952 0 1 6 4 89.56 1.86 1.0945 -1 1 6 4 89.72 1.13 1.0929 3 7 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.