Cornwallite
Arlt T, Armbruster T
Neues Jahrbuch fur Mineralogie, Monatshefte 1999 (1999) 468-480
Single-crystal X-ray structure refinement of cornwallite, Cu5(AsO4)2(OH)4:
A comparison with its polymorph cornubite and the (PO4)-analogue pseudomalachite
Locality: Clara mine, Oberwolfach, Black Forest, Germany
Note: Biso for O2 and O4 switched to match calculated values
_database_code_amcsd 0014901
CELL PARAMETERS: 4.6000 5.7570 17.3800 90.000 91.870 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 460.015
Density (g/cm3): 4.727
MAX. ABS. INTENSITY / VOLUME**2: 18.92374662
RIR: 1.304
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
10.18 2.43 8.6854 0 0 2 2
16.22 8.90 5.4647 0 1 1 4
18.49 39.81 4.7986 0 1 2 4
19.31 71.41 4.5975 1 0 0 2
21.77 1.87 4.0825 0 1 3 4
25.19 73.03 3.5360 -1 1 1 4
25.45 23.90 3.5004 1 1 1 4
26.61 11.51 3.3501 -1 1 2 4
27.10 7.13 3.2903 1 1 2 4
27.79 100.00 3.2097 -1 0 4 2
28.73 57.52 3.1068 1 0 4 2
28.91 27.38 3.0882 -1 1 3 4
29.60 63.72 3.0184 1 1 3 4
30.04 12.27 2.9745 0 1 5 4
30.89 6.08 2.8951 0 0 6 2
31.07 13.72 2.8785 0 2 0 2
32.76 3.94 2.7341 1 1 4 4
32.78 24.95 2.7323 0 2 2 4
34.68 3.53 2.5865 0 1 6 4
34.81 12.52 2.5776 0 2 3 4
35.48 36.63 2.5298 -1 1 5 4
36.12 43.49 2.4867 -1 0 6 2
36.43 58.94 2.4662 1 1 5 4
36.84 2.01 2.4398 1 2 0 4
37.12 3.33 2.4218 -1 2 1 4
37.24 3.62 2.4146 1 0 6 2
37.31 62.62 2.4103 1 2 1 4
37.48 16.17 2.3993 0 2 4 4
38.14 24.85 2.3595 -1 2 2 4
38.50 35.07 2.3383 1 2 2 4
39.19 33.45 2.2988 2 0 0 2
39.55 33.02 2.2788 0 1 7 4
39.85 1.64 2.2624 -1 2 3 4
40.36 1.29 2.2345 1 2 3 4
40.51 5.77 2.2267 1 1 6 4
40.71 12.52 2.2165 0 2 5 4
40.94 1.16 2.2045 2 0 2 2
41.59 18.49 2.1713 0 0 8 2
42.17 1.61 2.1430 -1 2 4 4
42.34 2.08 2.1349 2 1 0 4
42.51 1.50 2.1267 -2 1 1 4
42.83 9.85 2.1115 1 2 4 4
43.81 3.09 2.0666 -1 1 7 4
43.96 2.15 2.0597 -2 0 4 2
43.98 4.02 2.0588 2 1 2 4
44.80 3.00 2.0231 -2 1 3 4
45.23 1.84 2.0048 2 0 4 2
48.43 5.13 1.8795 0 2 7 4
48.59 9.06 1.8738 0 3 2 4
49.83 6.01 1.8300 0 1 9 4
49.84 5.21 1.8296 -2 0 6 2
50.08 2.34 1.8216 0 3 3 4
50.83 7.54 1.7963 2 2 0 4
50.88 7.63 1.7948 2 1 5 4
51.57 2.49 1.7723 2 0 6 2
51.70 27.95 1.7680 -2 2 2 4
52.11 8.82 1.7550 -1 2 7 4
52.27 5.80 1.7502 2 2 2 4
52.48 3.12 1.7437 -2 1 6 4
52.61 3.21 1.7395 -1 3 2 4
52.89 2.16 1.7310 1 3 2 4
52.99 9.54 1.7281 -2 2 3 4
53.09 6.59 1.7249 1 2 7 4
53.82 2.49 1.7034 2 2 3 4
53.95 1.33 1.6995 -1 3 3 4
54.15 2.24 1.6939 2 1 6 4
54.36 2.99 1.6876 1 3 3 4
54.64 9.97 1.6798 0 3 5 4
54.81 2.12 1.6750 -2 2 4 4
55.82 1.02 1.6471 -1 3 4 4
55.89 10.63 1.6451 2 2 4 4
55.96 26.15 1.6432 -2 1 7 4
56.22 6.42 1.6361 -1 2 8 4
56.35 1.11 1.6327 1 3 4 4
57.12 8.22 1.6125 -2 2 5 4
57.29 3.16 1.6082 1 2 8 4
57.31 1.63 1.6077 1 0 10 2
57.42 4.29 1.6049 -2 0 8 2
57.63 2.31 1.5995 0 3 6 4
57.82 9.68 1.5947 2 1 7 4
58.17 2.98 1.5859 -1 3 5 4
58.42 2.05 1.5797 -1 1 10 4
58.44 16.57 1.5793 2 2 5 4
58.82 4.91 1.5698 1 3 5 4
59.51 11.27 1.5534 2 0 8 2
59.72 1.00 1.5485 1 1 10 4
60.40 1.94 1.5325 3 0 0 2
60.66 4.02 1.5266 -1 2 9 4
60.82 8.67 1.5229 0 1 11 4
60.99 3.10 1.5192 -1 3 6 4
61.04 7.56 1.5180 0 3 7 4
61.44 2.14 1.5092 2 2 6 4
61.75 2.02 1.5023 1 3 6 4
61.80 4.70 1.5011 1 2 9 4
62.44 7.40 1.4873 0 2 10 4
62.81 1.43 1.4795 -3 1 1 4
63.11 1.21 1.4732 2 3 0 4
63.73 6.76 1.4602 -3 0 4 2
63.87 4.73 1.4574 -2 3 2 4
64.05 4.26 1.4538 -2 1 9 4
64.23 7.19 1.4501 -1 3 7 4
64.36 1.78 1.4476 0 0 12 2
64.36 3.42 1.4474 2 3 2 4
65.02 8.22 1.4343 0 4 1 4
65.09 1.94 1.4330 1 3 7 4
65.41 5.20 1.4268 -1 2 10 4
65.55 9.86 1.4240 3 1 3 4
65.73 2.56 1.4206 2 3 3 4
65.77 1.65 1.4199 0 4 2 4
66.63 8.63 1.4036 1 2 10 4
67.00 2.29 1.3967 0 4 3 4
67.16 10.41 1.3938 -1 0 12 2
67.67 2.55 1.3845 0 2 11 4
68.03 5.61 1.3781 -3 1 5 4
68.29 6.14 1.3735 1 4 0 4
68.60 10.90 1.3680 1 0 12 2
68.83 1.92 1.3640 1 3 8 4
69.14 2.25 1.3587 -1 4 2 4
69.55 3.76 1.3517 -3 2 1 4
69.82 3.92 1.3471 3 1 5 4
69.87 2.49 1.3462 2 3 5 4
69.90 6.39 1.3457 3 2 1 4
70.09 7.28 1.3425 -3 2 2 4
70.28 9.70 1.3394 -1 4 3 4
70.45 4.42 1.3365 3 0 6 2
70.51 1.04 1.3356 -3 1 6 4
70.64 4.52 1.3335 1 4 3 4
70.79 1.64 1.3310 1 1 12 4
70.80 2.35 1.3308 3 2 2 4
71.21 2.22 1.3242 -2 3 6 4
72.36 1.23 1.3059 1 4 4 4
72.61 2.10 1.3020 2 3 6 4
73.54 1.50 1.2878 0 3 10 4
73.96 3.82 1.2816 -1 4 5 4
74.16 1.68 1.2785 -2 3 7 4
74.54 3.15 1.2731 1 4 5 4
75.10 1.42 1.2649 -2 2 10 4
75.83 1.90 1.2545 -1 2 12 4
76.04 1.84 1.2516 2 1 11 4
76.30 1.70 1.2480 -1 3 10 4
76.52 1.52 1.2450 0 4 7 4
77.21 1.31 1.2356 1 2 12 4
77.38 1.03 1.2333 3 0 8 2
77.39 1.63 1.2331 2 2 10 4
77.45 1.18 1.2324 1 3 10 4
78.51 1.84 1.2184 -2 4 1 4
78.73 1.05 1.2154 2 4 1 4
79.00 3.40 1.2120 0 2 13 4
79.08 1.82 1.2109 -2 4 2 4
79.37 1.77 1.2073 2 0 12 2
79.76 2.29 1.2024 -3 2 7 4
79.84 2.75 1.2013 -2 2 11 4
83.01 2.20 1.1633 -3 2 8 4
83.85 4.03 1.1538 0 4 9 4
84.25 3.42 1.1494 4 0 0 2
84.65 1.00 1.1449 -3 1 10 4
85.16 2.27 1.1394 0 2 14 4
85.54 2.22 1.1353 0 1 15 4
85.60 1.89 1.1346 4 0 2 2
86.10 1.26 1.1293 0 5 3 4
86.67 1.49 1.1234 3 3 5 4
86.70 1.41 1.1231 -3 2 9 4
87.32 1.89 1.1167 -3 3 6 4
87.60 1.53 1.1138 -1 2 14 4
88.15 1.30 1.1083 0 4 10 4
88.75 1.96 1.1023 -2 4 7 4
89.71 2.16 1.0931 3 2 9 4
89.72 1.85 1.0929 0 5 5 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.