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 = 400 K, refined using Gram-Charlier displacement factors
_database_code_amcsd 0004360
CELL PARAMETERS: 10.3838 8.1364 6.6737 90.000 92.640 90.000
SPACE GROUP: P2_1/n
X-RAY WAVELENGTH: 1.541838
Cell Volume: 563.241
Density (g/cm3): 5.438
MAX. ABS. INTENSITY / VOLUME**2: 26.91745087
RIR: 1.612
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.83 21.26 6.4019 1 1 0 4
15.47 2.50 5.7295 -1 0 1 2
16.13 23.36 5.4943 1 0 1 2
17.20 5.64 5.1567 0 1 1 4
20.31 5.93 4.3734 2 1 0 4
21.85 17.01 4.0682 0 2 0 2
23.49 15.21 3.7873 1 2 0 4
23.90 1.96 3.7237 -2 1 1 4
24.78 5.02 3.5933 2 1 1 4
25.65 10.88 3.4727 0 2 1 4
26.74 8.94 3.3333 0 0 2 2
26.88 22.99 3.3171 -1 2 1 4
27.28 23.41 3.2695 1 2 1 4
27.87 100.00 3.2009 2 2 0 4
28.04 40.16 3.1822 3 1 0 4
28.53 22.89 3.1288 -3 0 1 2
28.95 9.68 3.0845 0 1 2 4
29.65 92.48 3.0131 3 0 1 2
29.87 91.12 2.9916 -1 1 2 4
30.59 14.36 2.9227 1 1 2 4
30.61 19.96 2.9203 -3 1 1 4
30.64 21.24 2.9181 -2 2 1 4
31.22 62.20 2.8648 -2 0 2 2
31.34 7.65 2.8541 2 2 1 4
31.67 35.85 2.8256 3 1 1 4
32.60 33.00 2.7471 2 0 2 2
33.15 30.79 2.7022 -2 1 2 4
34.17 22.38 2.6239 1 3 0 4
34.46 12.90 2.6028 2 1 2 4
34.59 21.35 2.5932 4 0 0 2
34.79 31.75 2.5784 0 2 2 4
35.58 10.90 2.5233 -1 2 2 4
35.74 38.45 2.5122 0 3 1 4
36.20 8.22 2.4816 1 2 2 4
36.22 3.81 2.4801 -3 2 1 4
36.66 54.73 2.4514 -1 3 1 4
36.96 1.22 2.4320 1 3 1 4
37.13 20.59 2.4213 3 2 1 4
37.42 1.25 2.4034 2 3 0 4
38.29 2.60 2.3506 -4 1 1 4
38.43 10.16 2.3423 -2 2 2 4
39.45 1.48 2.2843 4 1 1 4
39.99 6.34 2.2545 3 1 2 4
40.15 3.65 2.2457 2 3 1 4
41.29 12.07 2.1867 4 2 0 4
41.97 2.19 2.1527 1 0 3 2
42.36 1.60 2.1340 3 3 0 4
42.99 3.39 2.1037 0 3 2 4
43.01 2.03 2.1032 -3 2 2 4
43.03 15.94 2.1021 -4 2 1 4
43.20 1.48 2.0940 -4 0 2 2
43.49 17.39 2.0811 1 1 3 4
44.08 4.25 2.0543 4 2 1 4
44.18 9.78 2.0502 1 3 2 4
44.54 4.87 2.0341 0 4 0 2
44.58 4.78 2.0325 3 2 2 4
44.97 2.64 2.0158 3 3 1 4
45.04 4.39 2.0130 -2 1 3 4
45.17 9.28 2.0073 -5 0 1 2
45.44 8.06 1.9961 1 4 0 4
46.09 2.40 1.9695 -2 3 2 4
46.44 8.81 1.9555 5 0 1 2
46.56 10.04 1.9508 2 1 3 4
46.57 2.04 1.9502 0 2 3 4
46.69 5.25 1.9456 0 4 1 4
46.71 1.19 1.9445 4 1 2 4
47.09 13.43 1.9300 2 3 2 4
47.43 3.32 1.9169 -1 4 1 4
47.61 2.69 1.9098 -3 0 3 2
47.80 2.80 1.9027 1 2 3 4
48.05 2.08 1.8937 2 4 0 4
48.57 5.14 1.8743 4 3 0 4
48.92 2.93 1.8619 -4 2 2 4
48.99 12.48 1.8593 -3 1 3 4
49.25 12.08 1.8502 -2 2 3 4
49.31 4.16 1.8481 5 2 0 4
49.79 9.42 1.8314 3 0 3 2
49.84 12.80 1.8297 -2 4 1 4
50.10 18.80 1.8209 -3 3 2 4
50.72 20.61 1.8001 -5 2 1 4
51.12 3.88 1.7867 3 1 3 4
51.50 18.73 1.7745 3 3 2 4
51.88 10.92 1.7624 5 2 1 4
52.07 10.24 1.7564 -5 1 2 4
52.17 2.80 1.7532 3 4 0 4
52.97 8.40 1.7288 6 0 0 2
53.28 2.19 1.7192 -1 4 2 4
53.29 2.96 1.7189 0 3 3 4
53.73 4.53 1.7059 1 4 2 4
54.30 2.15 1.6895 -4 1 3 4
54.33 5.06 1.6884 5 1 2 4
54.42 2.24 1.6859 3 4 1 4
54.98 2.39 1.6700 3 2 3 4
55.10 1.13 1.6667 0 0 4 2
55.40 3.79 1.6585 -2 4 2 4
55.45 1.03 1.6570 -6 1 1 4
55.79 9.11 1.6478 5 3 0 4
56.27 1.60 1.6347 2 4 2 4
56.35 12.61 1.6328 0 1 4 4
57.04 3.61 1.6145 2 3 3 4
57.08 1.01 1.6134 -5 3 1 4
57.18 2.21 1.6110 4 3 2 4
57.28 1.59 1.6085 -2 0 4 2
57.54 1.86 1.6018 1 1 4 4
58.37 1.41 1.5809 0 5 1 4
58.49 4.32 1.5779 -2 1 4 4
59.01 4.56 1.5654 -1 5 1 4
59.17 4.08 1.5615 -3 3 3 4
59.22 7.61 1.5603 1 5 1 4
59.54 2.78 1.5526 2 5 0 4
59.81 7.85 1.5463 4 4 1 4
59.98 1.58 1.5422 0 2 4 4
60.21 2.04 1.5370 3 4 2 4
60.24 1.20 1.5363 -6 1 2 4
60.38 1.65 1.5330 6 2 1 4
60.55 1.54 1.5292 4 2 3 4
60.73 6.75 1.5250 -5 1 3 4
61.05 1.32 1.5178 3 3 3 4
61.13 4.67 1.5161 1 2 4 4
61.51 1.11 1.5076 2 5 1 4
61.72 2.12 1.5028 -3 1 4 4
61.83 1.89 1.5004 0 4 3 4
62.05 3.06 1.4958 -2 2 4 4
62.24 1.90 1.4916 -1 4 3 4
62.72 2.82 1.4814 6 1 2 4
62.86 1.94 1.4785 1 4 3 4
63.68 2.96 1.4614 2 2 4 4
63.74 1.10 1.4602 -6 2 2 4
63.79 1.22 1.4591 -4 4 2 4
63.81 3.21 1.4587 5 1 3 4
63.90 1.09 1.4568 -4 3 3 4
64.13 1.27 1.4521 -1 5 2 4
64.55 1.47 1.4437 -3 5 1 4
64.85 2.59 1.4379 -7 1 1 4
64.95 4.52 1.4358 -6 3 1 4
65.27 1.10 1.4295 2 4 3 4
65.76 2.45 1.4200 0 3 4 4
66.03 3.05 1.4149 -2 5 2 4
66.06 2.51 1.4143 -1 3 4 4
66.14 2.72 1.4128 6 2 2 4
66.14 1.20 1.4128 6 3 1 4
66.25 1.55 1.4107 -4 1 4 4
66.30 1.25 1.4098 4 3 3 4
66.82 1.27 1.4001 2 5 2 4
67.24 1.92 1.3923 7 2 0 4
67.55 1.06 1.3867 3 2 4 4
68.01 6.85 1.3784 4 5 0 4
69.39 1.14 1.3544 4 1 4 4
70.73 1.59 1.3320 -3 3 4 4
71.49 1.08 1.3196 -1 6 1 4
71.68 1.12 1.3166 -4 4 3 4
72.29 2.07 1.3070 -1 5 3 4
72.42 1.78 1.3050 -7 2 2 4
72.87 1.23 1.2980 1 1 5 4
74.96 2.02 1.2670 0 2 5 4
75.12 1.19 1.2646 2 5 3 4
75.16 1.35 1.2641 -5 5 1 4
75.18 1.13 1.2638 -5 2 4 4
75.24 2.59 1.2629 4 5 2 4
76.37 1.37 1.2470 8 1 1 4
76.51 1.53 1.2451 -7 1 3 4
76.57 1.68 1.2442 -3 6 1 4
76.79 1.97 1.2412 -6 3 3 4
76.82 1.82 1.2408 2 4 4 4
77.22 3.75 1.2354 8 2 0 4
78.69 1.45 1.2160 2 6 2 4
78.85 2.60 1.2139 -8 1 2 4
79.03 2.01 1.2116 3 1 5 4
80.33 2.27 1.1952 7 3 2 4
80.75 2.06 1.1900 8 0 2 2
81.04 1.04 1.1866 -7 4 1 4
81.17 1.11 1.1849 6 5 0 4
82.16 1.05 1.1732 6 0 4 2
82.33 3.31 1.1711 -4 4 4 4
83.20 2.02 1.1612 6 1 4 4
84.11 1.01 1.1509 5 3 4 4
84.43 2.55 1.1474 1 6 3 4
84.90 1.57 1.1422 8 2 2 4
85.03 1.33 1.1408 -7 4 2 4
85.18 3.44 1.1391 -1 7 1 4
85.59 3.10 1.1347 -5 1 5 4
86.25 1.24 1.1278 -6 5 2 4
87.37 2.20 1.1161 6 4 3 4
87.65 2.00 1.1133 -1 4 5 4
87.69 1.31 1.1129 -5 4 4 4
88.41 2.49 1.1057 -3 6 3 4
88.90 1.33 1.1009 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.