Chalcomenite
Robinson P D, Sen Gupta P K, Swihart G H, Houk L
American Mineralogist 77 (1992) 834-838
Crystal structure, H positions, and the Se lone pair of synthetic chalcomenite,
Cu(H2O)2[SeO3]
_database_code_amcsd 0001528
CELL PARAMETERS: 6.6740 9.1610 7.3980 90.000 90.000 90.000
SPACE GROUP: P2_12_12_1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 452.318
Density (g/cm3): 3.449
MAX. ABS. INTENSITY / VOLUME**2: 19.15109693
RIR: 1.808
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
15.39 16.22 5.7556 0 1 1 4
16.43 63.12 5.3943 1 1 0 4
17.90 100.00 4.9555 1 0 1 4
20.38 19.76 4.3587 1 1 1 4
22.83 9.24 3.8945 0 2 1 4
23.56 65.78 3.7766 1 2 0 4
25.98 42.92 3.4299 0 1 2 4
26.50 76.11 3.3637 1 2 1 4
26.71 4.39 3.3370 2 0 0 2
27.57 13.32 3.2353 1 0 2 4
28.47 8.48 3.1355 2 1 0 4
29.28 53.45 3.0507 1 1 2 4
30.98 46.18 2.8869 2 1 1 4
31.08 1.21 2.8778 0 2 2 4
31.70 38.92 2.8227 0 3 1 4
32.24 5.18 2.7768 1 3 0 4
33.22 14.20 2.6971 2 2 0 4
33.92 12.34 2.6426 1 2 2 4
34.50 6.62 2.5997 1 3 1 4
35.42 58.26 2.5340 2 2 1 4
36.26 12.01 2.4777 2 0 2 4
37.61 12.52 2.3918 2 1 2 4
37.78 8.52 2.3812 0 1 3 4
38.22 1.65 2.3549 0 3 2 4
38.94 8.09 2.3131 1 0 3 4
39.34 16.84 2.2903 0 4 0 2
40.21 5.58 2.2428 1 1 3 4
40.63 3.68 2.2207 1 3 2 4
41.26 2.99 2.1878 0 4 1 4
41.59 17.30 2.1713 0 2 3 4
41.69 6.17 2.1663 1 4 0 4
41.78 12.37 2.1618 3 1 0 4
41.92 7.95 2.1551 2 3 1 4
42.43 1.95 2.1304 3 0 1 4
43.53 13.79 2.0790 1 4 1 4
43.62 2.75 2.0751 3 1 1 4
43.85 20.02 2.0648 1 2 3 4
45.32 17.49 2.0011 3 2 0 4
46.87 2.73 1.9383 2 1 3 4
47.04 6.97 1.9317 3 2 1 4
47.38 10.02 1.9185 0 3 3 4
47.70 4.00 1.9064 3 0 2 4
48.71 3.59 1.8693 1 4 2 4
48.79 4.32 1.8665 3 1 2 4
49.27 5.90 1.8495 0 0 4 2
49.43 11.75 1.8439 1 3 3 4
49.84 2.07 1.8296 2 4 1 4
50.78 7.34 1.7981 3 3 0 4
51.26 8.33 1.7823 1 0 4 4
51.74 4.97 1.7668 1 5 0 4
52.29 9.60 1.7495 1 1 4 4
52.36 1.58 1.7472 3 3 1 4
53.31 3.19 1.7185 1 5 1 4
54.57 22.68 1.6818 2 4 2 4
55.04 12.01 1.6685 4 0 0 2
55.23 1.85 1.6632 2 3 3 4
55.31 4.15 1.6610 1 2 4 4
55.64 2.96 1.6518 3 0 3 4
56.01 1.96 1.6418 0 5 2 4
56.54 3.64 1.6276 4 0 1 4
56.55 5.04 1.6275 1 4 3 4
56.62 6.17 1.6256 3 1 3 4
57.51 3.03 1.6025 4 1 1 4
57.83 11.89 1.5943 1 5 2 4
57.89 7.83 1.5930 2 1 4 4
59.24 3.54 1.5599 3 4 1 4
59.49 7.43 1.5539 3 2 3 4
61.84 5.47 1.5004 4 1 2 4
61.89 4.09 1.4992 2 4 3 4
62.07 1.12 1.4953 0 6 1 4
63.11 2.27 1.4732 2 5 2 4
63.23 2.75 1.4707 0 5 3 4
63.49 3.51 1.4652 3 4 2 4
63.79 7.17 1.4591 1 6 1 4
64.09 6.04 1.4529 3 3 3 4
64.79 2.10 1.4389 0 4 4 4
64.92 5.50 1.4363 4 3 1 4
65.27 8.28 1.4295 2 3 4 4
65.40 4.62 1.4269 1 1 5 4
66.22 2.66 1.4113 0 6 2 4
66.40 1.43 1.4080 0 2 5 4
66.47 5.19 1.4066 1 4 4 4
66.54 1.87 1.4054 3 1 4 4
67.42 1.78 1.3891 3 5 1 4
67.46 4.51 1.3884 2 6 0 4
67.88 2.53 1.3808 1 6 2 4
68.69 2.53 1.3664 4 1 3 4
68.80 1.71 1.3646 2 6 1 4
68.98 4.18 1.3614 4 3 2 4
69.16 4.03 1.3582 3 2 4 4
69.73 4.14 1.3486 4 4 0 4
70.26 2.56 1.3397 3 4 3 4
70.36 3.14 1.3381 2 1 5 4
71.05 1.38 1.3267 4 4 1 4
71.28 3.85 1.3230 4 2 3 4
71.40 2.67 1.3210 3 5 2 4
71.87 1.78 1.3136 5 0 1 4
72.37 5.99 1.3058 1 3 5 4
72.64 1.70 1.3016 0 5 4 4
72.72 2.77 1.3003 5 1 1 4
72.86 2.08 1.2982 0 6 3 4
72.92 7.69 1.2972 2 2 5 4
73.45 1.40 1.2892 3 3 4 4
73.48 2.80 1.2887 0 7 1 4
74.23 2.11 1.2776 1 5 4 4
74.46 1.39 1.2743 1 6 3 4
75.26 4.27 1.2627 5 2 1 4
75.52 3.10 1.2590 4 3 3 4
76.60 2.95 1.2439 5 1 2 4
76.81 4.29 1.2410 3 6 1 4
76.97 1.40 1.2389 4 0 4 4
77.86 1.40 1.2268 3 5 3 4
78.23 2.15 1.2220 0 1 6 4
78.24 1.21 1.2218 1 4 5 4
78.30 2.28 1.2210 3 1 5 4
78.95 2.18 1.2126 2 5 4 4
78.96 1.00 1.2125 1 0 6 4
79.09 1.76 1.2109 5 2 2 4
79.17 1.20 1.2098 2 6 3 4
79.30 1.58 1.2082 3 4 4 4
79.77 2.11 1.2022 2 7 1 4
80.28 2.63 1.1959 4 2 4 4
82.41 1.36 1.1703 4 5 2 4
83.19 1.60 1.1612 5 3 2 4
84.80 1.41 1.1433 0 3 6 4
84.87 2.18 1.1425 3 3 5 4
85.19 2.05 1.1390 1 7 3 4
85.88 1.33 1.1316 0 8 1 4
86.88 1.18 1.1212 3 6 3 4
87.41 1.62 1.1157 1 8 1 4
88.65 1.17 1.1033 4 5 3 4
89.78 1.07 1.0923 2 7 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.