Chalcoalumite
Hawthorne F C, Cooper M A
Mineralogical Magazine 77 (2013) 2901-2912
The crystal structure of chalcoalumite: mechanisms of Jahn-Teller-driven
distortion in [6]Cu2+-containing oxysalts
Locality: Bisbee, Arizona, USA
_database_code_amcsd 0019969
CELL PARAMETERS: 10.2280 8.9290 17.0980 90.000 95.800 90.000
SPACE GROUP: P2_1/n
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1553.495
Density (g/cm3): 2.298
MAX. ABS. INTENSITY / VOLUME**2: 20.45028247
RIR: 2.897
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
10.40 100.00 8.5052 0 0 2 2
11.19 19.17 7.9060 0 1 1 4
13.19 5.58 6.7115 1 1 0 4
13.86 3.29 6.3902 -1 1 1 4
14.51 4.05 6.1057 1 1 1 4
16.27 3.97 5.4482 -1 1 2 4
17.37 1.80 5.1058 1 1 2 4
18.54 7.63 4.7866 0 1 3 4
19.40 9.88 4.5746 -2 0 2 2
20.57 2.51 4.3182 0 2 1 4
20.89 40.65 4.2526 0 0 4 2
21.18 1.83 4.1956 1 1 3 4
21.24 8.59 4.1839 2 0 2 2
24.02 2.41 3.7056 -1 1 4 4
24.42 1.03 3.6449 -2 1 3 4
25.39 1.22 3.5077 0 2 3 4
26.64 1.31 3.3467 2 1 3 4
26.73 1.90 3.3348 -2 2 1 4
27.92 2.84 3.1951 -2 2 2 4
28.07 3.54 3.1791 0 1 5 4
29.25 9.97 3.0529 2 2 2 4
30.03 1.34 2.9761 -2 2 3 4
30.49 1.05 2.9318 0 3 1 4
30.99 1.07 2.8861 -3 1 3 4
32.88 5.94 2.7241 -2 2 4 4
34.02 2.85 2.6353 0 3 3 4
34.65 1.40 2.5885 2 1 5 4
35.61 11.84 2.5213 2 3 1 4
35.81 3.69 2.5078 -4 0 2 2
37.58 1.08 2.3933 0 2 6 4
38.64 1.44 2.3303 -4 1 3 4
39.23 13.50 2.2964 2 3 3 4
39.39 7.35 2.2873 -4 0 4 2
40.41 1.16 2.2322 0 4 0 2
40.83 2.81 2.2103 4 2 0 4
41.60 1.32 2.1709 4 1 3 4
43.12 1.98 2.0978 2 2 6 4
45.31 16.43 2.0016 2 3 5 4
45.43 7.80 1.9964 -4 0 6 2
49.17 1.32 1.8528 -2 2 8 4
50.35 2.36 1.8122 -2 3 7 4
50.57 1.12 1.8049 4 0 6 2
53.19 6.65 1.7221 2 3 7 4
53.28 3.65 1.7192 -4 0 8 2
59.19 2.76 1.5609 -2 3 9 4
59.40 1.70 1.5559 4 0 8 2
62.40 1.83 1.4882 0 6 0 2
62.47 1.21 1.4866 2 3 9 4
62.82 4.85 1.4792 -6 3 1 4
63.46 2.99 1.4659 0 6 2 4
63.86 2.29 1.4576 -6 3 3 4
63.89 2.10 1.4571 6 3 1 4
66.95 1.41 1.3976 -6 3 5 4
67.01 1.07 1.3966 6 3 3 4
69.31 2.59 1.3558 -2 3 11 4
69.51 1.06 1.3523 4 0 10 2
80.50 1.65 1.1931 -4 6 6 4
80.69 1.49 1.1908 -2 3 13 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.