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
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XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.