Azurite
Belokoneva E L, Gubina Y K, Forsyth J B
Physics and Chemistry of Minerals 28 (2001) 498-507
The charge density distribution and antiferromagnetic properties of
azurite Cu3[CO3]2(OH)2
Note: O1 x-coordinate altered
_database_code_amcsd 0008598
CELL PARAMETERS: 5.0110 5.8500 10.3530 90.000 92.410 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 303.223
Density (g/cm3): 3.774
MAX. ABS. INTENSITY / VOLUME**2: 25.61534590
RIR: 2.210
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
17.14 61.54 5.1719 0 0 2 2
17.42 29.12 5.0921 0 1 1 4
17.72 11.36 5.0066 1 0 0 2
22.95 2.19 3.8748 0 1 2 4
23.39 7.55 3.8037 1 1 0 4
24.22 55.14 3.6753 -1 0 2 2
25.20 100.00 3.5336 1 1 1 4
25.27 1.20 3.5239 1 0 2 2
28.69 9.64 3.1121 -1 1 2 4
30.08 2.97 2.9704 0 1 3 4
30.56 14.01 2.9250 0 2 0 2
31.79 6.85 2.8146 0 2 1 4
34.55 11.19 2.5962 -1 1 3 4
35.25 26.31 2.5460 0 2 2 4
35.55 18.25 2.5256 1 2 0 4
35.70 37.85 2.5149 1 1 3 4
36.44 1.26 2.4656 -1 2 1 4
38.51 19.05 2.3380 -1 0 4 2
39.14 4.36 2.3014 2 1 0 4
39.37 30.68 2.2887 -1 2 2 4
39.80 28.40 2.2651 -2 1 1 4
39.90 1.52 2.2592 1 0 4 2
40.06 9.54 2.2507 1 2 2 4
40.48 32.73 2.2283 2 1 1 4
41.60 6.38 2.1710 -1 1 4 4
42.91 3.93 2.1075 1 1 4 4
44.94 2.44 2.0172 1 2 3 4
46.56 26.37 1.9504 0 1 5 4
46.59 2.58 1.9493 -2 1 3 4
47.83 6.45 1.9019 2 2 0 4
48.38 1.02 1.8812 -2 2 1 4
48.39 2.40 1.8809 2 1 3 4
49.61 6.28 1.8376 -2 0 4 2
49.94 18.84 1.8263 -1 2 4 4
50.92 7.63 1.7935 1 1 5 4
51.08 2.53 1.7880 1 2 4 4
51.17 6.56 1.7850 1 3 1 4
51.89 2.95 1.7620 2 0 4 2
54.03 2.91 1.6974 0 3 3 4
55.65 1.31 1.6516 -1 0 6 2
56.92 1.50 1.6177 -1 3 3 4
57.24 1.65 1.6093 1 0 6 2
57.29 1.39 1.6081 -3 0 2 2
57.71 19.58 1.5975 1 3 3 4
57.78 4.22 1.5957 -3 1 1 4
58.86 7.11 1.5691 3 0 2 2
59.40 5.33 1.5560 -2 2 4 4
60.15 1.09 1.5383 2 3 0 4
60.63 10.00 1.5274 -2 3 1 4
61.13 13.77 1.5159 2 3 1 4
61.41 1.18 1.5098 2 1 5 4
61.43 3.96 1.5093 2 2 4 4
62.88 11.12 1.4780 -3 1 3 4
63.62 4.81 1.4625 0 4 0 2
64.31 2.15 1.4486 -2 0 6 2
65.09 1.48 1.4330 3 1 3 4
65.11 8.86 1.4327 0 1 7 4
65.82 5.42 1.4190 0 3 5 4
66.43 3.65 1.4073 0 4 2 4
67.22 3.73 1.3927 2 0 6 2
67.23 2.65 1.3925 -1 1 7 4
67.77 5.84 1.3827 3 2 2 4
68.14 4.67 1.3761 3 0 4 2
69.13 6.54 1.3589 -1 4 2 4
69.35 3.60 1.3550 1 3 5 4
72.87 8.41 1.2981 -2 2 6 4
73.16 3.29 1.2936 -3 1 5 4
75.21 2.08 1.2634 -3 3 1 4
75.62 5.19 1.2575 2 2 6 4
76.04 1.72 1.2516 4 0 0 2
76.50 1.84 1.2452 3 2 4 4
76.89 3.57 1.2399 -1 4 4 4
76.93 2.32 1.2394 1 0 8 2
79.55 1.56 1.2050 4 0 2 2
79.75 2.99 1.2025 -3 3 3 4
81.78 1.69 1.1777 0 3 7 4
83.73 2.12 1.1551 -1 3 7 4
84.13 3.41 1.1507 4 2 0 4
84.70 1.30 1.1443 -2 4 4 4
85.00 2.22 1.1411 1 2 8 4
85.79 1.58 1.1326 -4 2 2 4
85.92 1.33 1.1313 1 5 1 4
86.48 1.60 1.1253 2 4 4 4
87.57 1.08 1.1142 4 2 2 4
87.97 3.09 1.1101 -1 1 9 4
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.