Clinochalcomenite
Lo K, Chen Z, Ma Z
Kexue Tongbao 29 (1984) 352-355
The crystal structure of clinochalcomenite
Note: reported coordinates do not produce the reported bond lengths
Locality: Gansu Province, China
_database_code_amcsd 0018480
CELL PARAMETERS: 8.1770 8.6110 6.2900 90.000 97.270 90.000
SPACE GROUP: P2_1/n
X-RAY WAVELENGTH: 1.541838
Cell Volume: 439.332
Density (g/cm3): 3.490
MAX. ABS. INTENSITY / VOLUME**2: 30.90786198
RIR: 2.884
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
15.00 100.00 5.9043 1 1 0 4
16.79 3.84 5.2789 -1 0 1 2
19.01 7.50 4.6683 1 0 1 2
19.73 24.98 4.5005 -1 1 1 4
20.63 5.17 4.3055 0 2 0 2
21.65 1.35 4.1040 1 1 1 4
21.92 12.37 4.0556 2 0 0 2
23.39 30.76 3.8030 1 2 0 4
24.26 52.47 3.6691 2 1 0 4
26.72 6.90 3.3365 -1 2 1 4
26.74 1.54 3.3339 -2 1 1 4
28.20 1.09 3.1649 1 2 1 4
29.62 10.05 3.0155 2 1 1 4
30.48 56.25 2.9332 0 1 2 4
31.17 5.09 2.8697 -1 1 2 4
32.33 26.60 2.7690 -2 2 1 4
33.11 25.87 2.7059 1 3 0 4
33.71 9.27 2.6590 1 1 2 4
33.96 9.05 2.6394 -2 0 2 2
34.39 6.65 2.6076 0 3 1 4
34.44 20.05 2.6040 -3 0 1 2
34.78 2.35 2.5796 3 1 0 4
34.80 1.87 2.5783 2 2 1 4
36.03 9.61 2.4925 -3 1 1 4
36.14 5.07 2.4854 -1 2 2 4
37.90 8.80 2.3737 3 0 1 2
38.39 11.72 2.3447 1 2 2 4
38.42 2.28 2.3429 2 3 0 4
38.57 6.87 2.3341 2 0 2 2
39.35 2.49 2.2897 3 2 0 4
39.38 16.66 2.2883 3 1 1 4
40.07 4.44 2.2503 -2 2 2 4
41.97 16.77 2.1528 0 4 0 2
42.18 3.88 2.1424 2 3 1 4
42.81 7.25 2.1123 0 3 2 4
43.33 1.98 2.0882 -1 3 2 4
43.53 4.79 2.0789 -1 0 3 2
44.83 3.96 2.0217 0 1 3 4
45.28 1.35 2.0027 1 3 2 4
46.45 2.55 1.9549 1 4 1 4
46.52 7.44 1.9523 -4 1 1 4
47.12 1.05 1.9286 -3 3 1 4
47.73 8.60 1.9053 -2 1 3 4
47.84 2.93 1.9015 2 4 0 4
48.43 1.13 1.8797 3 1 2 4
48.62 1.64 1.8728 0 2 3 4
49.26 2.47 1.8498 -2 4 1 4
49.85 1.78 1.8292 3 3 1 4
51.97 4.44 1.7596 -3 0 3 2
53.12 7.92 1.7240 -3 1 3 4
53.66 10.69 1.7079 4 2 1 4
53.74 2.08 1.7057 1 4 2 4
55.05 2.75 1.6682 -2 4 2 4
55.37 6.12 1.6592 -3 4 1 4
55.95 5.01 1.6434 -4 3 1 4
56.18 4.40 1.6373 -1 5 1 4
57.02 7.48 1.6151 -2 3 3 4
57.63 2.18 1.5994 3 3 2 4
57.82 2.71 1.5946 3 4 1 4
57.89 1.95 1.5928 -5 1 1 4
58.20 5.91 1.5852 2 5 0 4
58.31 4.76 1.5825 2 4 2 4
59.24 4.91 1.5599 0 0 4 2
59.40 2.80 1.5561 3 0 3 2
60.46 1.84 1.5313 3 1 3 4
60.78 1.04 1.5238 5 0 1 2
61.50 6.62 1.5077 0 5 2 4
61.83 2.86 1.5005 5 1 1 4
61.85 1.27 1.5002 -3 3 3 4
62.06 2.94 1.4954 -1 4 3 4
63.02 1.80 1.4749 1 1 4 4
63.68 6.89 1.4613 -4 2 3 4
64.92 1.45 1.4365 -3 5 1 4
64.98 1.16 1.4352 0 6 0 2
65.07 1.64 1.4335 -5 2 2 4
66.08 1.77 1.4140 1 2 4 4
66.17 1.13 1.4123 5 3 0 4
67.15 2.78 1.3940 3 5 1 4
67.60 1.41 1.3858 2 5 2 4
67.94 1.79 1.3798 2 1 4 4
68.92 1.18 1.3624 -3 4 3 4
69.54 1.66 1.3519 6 0 0 2
69.59 2.21 1.3510 4 1 3 4
70.61 1.93 1.3339 -2 6 1 4
71.01 2.64 1.3274 1 3 4 4
72.87 1.25 1.2981 -1 6 2 4
73.08 1.67 1.2948 -5 4 1 4
73.57 1.60 1.2874 -6 1 2 4
74.29 1.53 1.2768 1 6 2 4
75.23 2.40 1.2631 0 4 4 4
75.37 1.19 1.2611 3 4 3 4
75.39 1.17 1.2608 -2 6 2 4
77.26 1.95 1.2349 4 3 3 4
77.56 1.88 1.2308 -3 5 3 4
77.68 1.83 1.2293 3 2 4 4
78.67 1.20 1.2162 1 7 0 4
79.37 1.37 1.2072 5 0 3 2
80.81 2.25 1.1894 -2 2 5 4
82.00 1.14 1.1751 6 3 1 4
84.99 2.14 1.1412 5 5 1 4
87.10 1.07 1.1189 7 2 0 4
88.03 1.20 1.1095 -5 3 4 4
89.33 1.55 1.0967 -7 2 2 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.