Wittichenite
Kocman V, Nuffield E W
Acta Crystallographica B29 (1973) 2528-2535
The crystal structure of wittichenite, Cu3BiS3
Locality: Daniel Mine, Wittichen, Baden, Germany
_database_code_amcsd 0009490
CELL PARAMETERS: 7.7230 10.3950 6.7160 90.000 90.000 90.000
SPACE GROUP: P2_12_12_1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 539.164
Density (g/cm3): 6.107
MAX. ABS. INTENSITY / VOLUME**2: 78.68628059
RIR: 4.195
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
15.71 14.68 5.6411 0 1 1 4
17.06 13.59 5.1975 0 2 0 2
19.49 45.72 4.5553 1 1 1 4
20.60 1.73 4.3120 1 2 0 4
21.62 1.15 4.1104 0 2 1 4
23.03 33.99 3.8615 2 0 0 2
24.53 3.36 3.6285 1 2 1 4
24.59 10.01 3.6198 2 1 0 4
26.54 8.74 3.3580 0 0 2 2
26.63 12.68 3.3476 2 0 1 4
28.00 43.35 3.1864 2 1 1 4
28.23 2.18 3.1614 1 3 0 4
28.80 17.53 3.0997 2 2 0 4
29.00 49.46 3.0795 1 0 2 4
29.00 38.49 3.0793 0 3 1 4
30.27 26.72 2.9527 1 1 2 4
31.27 100.00 2.8603 1 3 1 4
31.72 5.62 2.8205 0 2 2 4
31.80 14.09 2.8144 2 2 1 4
33.83 49.29 2.6494 1 2 2 4
34.51 7.96 2.5988 0 4 0 2
34.79 15.07 2.5789 2 3 0 4
35.94 6.00 2.4988 3 1 0 4
36.50 2.44 2.4618 2 1 2 4
37.35 13.82 2.4075 2 3 1 4
37.41 11.32 2.4038 3 0 1 4
38.44 13.68 2.3420 3 1 1 4
38.95 1.09 2.3124 1 4 1 4
39.05 5.46 2.3069 3 2 0 4
39.14 2.22 2.3018 1 3 2 4
39.57 7.09 2.2776 2 2 2 4
41.25 5.83 2.1885 0 1 3 4
41.38 12.07 2.1818 3 2 1 4
42.95 6.67 2.1056 1 1 3 4
44.12 10.25 2.0528 2 4 1 4
44.29 3.50 2.0454 2 3 2 4
44.34 5.89 2.0430 3 0 2 4
45.23 20.13 2.0047 3 1 2 4
45.66 1.81 1.9869 1 2 3 4
45.68 6.40 1.9861 1 4 2 4
45.68 3.14 1.9860 0 5 1 4
45.95 3.05 1.9751 3 3 1 4
47.26 9.44 1.9234 1 5 1 4
47.77 9.46 1.9040 2 1 3 4
47.84 8.30 1.9014 3 2 2 4
47.92 9.34 1.8983 4 1 0 4
48.41 4.64 1.8804 0 3 3 4
49.86 2.44 1.8289 3 4 0 4
49.92 26.39 1.8270 1 3 3 4
49.92 1.30 1.8267 4 1 1 4
50.27 9.85 1.8148 2 2 3 4
50.29 3.95 1.8142 2 4 2 4
51.76 15.12 1.7661 2 5 1 4
51.81 9.30 1.7646 3 4 1 4
51.96 3.92 1.7599 3 3 2 4
52.35 13.84 1.7476 4 2 1 4
52.84 10.43 1.7325 0 6 0 2
53.15 6.51 1.7231 1 5 2 4
54.26 8.30 1.6906 2 3 3 4
54.26 1.78 1.6905 1 6 0 4
54.31 7.27 1.6893 3 0 3 4
54.40 10.51 1.6866 4 3 0 4
54.67 6.64 1.6790 0 0 4 2
55.43 1.29 1.6575 0 1 4 4
56.10 1.62 1.6394 1 6 1 4
57.35 1.43 1.6065 3 2 3 4
57.37 5.49 1.6061 3 4 2 4
57.70 6.35 1.5977 0 2 4 4
58.38 5.65 1.5807 2 6 0 4
58.72 1.16 1.5725 3 5 1 4
59.53 3.39 1.5529 2 4 3 4
59.66 1.02 1.5498 4 4 0 4
60.09 5.75 1.5397 2 0 4 4
60.80 3.68 1.5234 0 5 3 4
60.81 3.36 1.5231 2 1 4 4
61.02 2.20 1.5184 3 3 3 4
61.40 9.69 1.5099 1 6 2 4
61.61 4.15 1.5053 5 0 1 4
62.10 2.11 1.4946 1 5 3 4
62.96 1.47 1.4763 2 2 4 4
63.64 2.01 1.4621 4 0 3 4
63.88 6.90 1.4572 3 5 2 4
64.44 2.64 1.4459 5 2 1 4
65.50 1.35 1.4251 1 7 1 4
65.91 1.69 1.4171 2 5 3 4
65.95 1.91 1.4163 3 4 3 4
66.04 4.40 1.4148 4 5 0 4
66.27 1.45 1.4103 0 4 4 4
66.42 1.82 1.4075 4 2 3 4
66.44 1.14 1.4071 2 3 4 4
66.53 2.78 1.4055 3 6 1 4
67.33 5.87 1.3907 5 1 2 4
67.52 1.12 1.3873 1 4 4 4
67.59 2.01 1.3860 2 7 0 4
71.18 2.24 1.3247 2 4 4 4
71.38 1.63 1.3214 3 6 2 4
71.93 3.11 1.3127 1 1 5 4
72.58 1.91 1.3026 5 4 1 4
72.70 4.75 1.3007 5 3 2 4
72.78 1.08 1.2994 0 8 0 2
74.46 3.85 1.2743 4 4 3 4
74.66 2.91 1.2714 5 0 3 4
75.00 1.12 1.2663 4 6 1 4
75.15 2.61 1.2642 6 0 1 4
75.49 1.20 1.2593 2 1 5 4
75.61 4.22 1.2576 4 1 4 4
77.08 1.50 1.2373 2 5 4 4
77.16 2.37 1.2362 1 3 5 4
77.26 1.15 1.2349 5 2 3 4
77.44 2.01 1.2325 2 2 5 4
77.75 1.13 1.2283 6 2 1 4
79.05 1.59 1.2113 2 8 1 4
79.20 2.88 1.2095 3 6 3 4
79.42 3.35 1.2066 6 3 0 4
79.49 4.27 1.2057 0 6 4 4
79.65 1.10 1.2038 4 6 2 4
79.85 2.13 1.2012 3 7 2 4
80.17 5.35 1.1972 1 8 2 4
80.65 1.62 1.1913 2 3 5 4
80.76 5.98 1.1899 4 3 4 4
81.71 1.94 1.1785 2 7 3 4
83.03 4.10 1.1631 5 5 2 4
83.23 2.62 1.1608 3 2 5 4
84.11 2.02 1.1509 2 6 4 4
85.40 1.24 1.1368 6 4 1 4
85.44 2.47 1.1363 5 6 1 4
86.21 1.08 1.1282 0 5 5 4
86.40 2.48 1.1261 1 9 1 4
87.35 1.43 1.1164 1 5 5 4
88.20 1.48 1.1078 1 0 6 4
89.36 1.27 1.0964 3 8 2 4
89.83 1.73 1.0918 2 9 1 4
89.92 1.97 1.0910 6 2 3 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.