Vergasovaite
Berlepsch P, Armbruster T, Brugger J, Bykova E Y, Kartashov P M
European Journal of Mineralogy 11 (1999) 101-110
The crystal structure of vergasovaite Cu3O[(Mo,S)O4SO4],
and its relation to synthetic Cu3O[MoO4]2
_database_code_amcsd 0006764
CELL PARAMETERS: 7.4210 6.7540 13.6240 90.000 90.000 90.000
SPACE GROUP: Pnma
X-RAY WAVELENGTH: 1.541838
Cell Volume: 682.854
Density (g/cm3): 4.339
MAX. ABS. INTENSITY / VOLUME**2: 21.57261667
RIR: 1.619
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.00 25.45 6.8120 0 0 2 2
13.59 25.20 6.5169 1 0 1 4
14.64 6.44 6.0512 0 1 1 4
17.67 9.98 5.0183 1 0 2 4
18.92 8.84 4.6897 1 1 1 8
22.07 8.20 4.0281 1 1 2 8
22.96 2.92 3.8736 1 0 3 4
23.61 4.58 3.7686 0 1 3 4
23.98 33.25 3.7105 2 0 0 2
24.87 35.89 3.5801 2 0 1 4
26.39 66.81 3.3770 0 2 0 2
26.53 25.31 3.3602 1 1 3 8
27.37 33.17 3.2585 2 0 2 4
27.43 10.62 3.2521 2 1 0 4
28.21 9.64 3.1632 2 1 1 8
28.84 100.00 3.0955 1 0 4 4
29.52 21.81 3.0256 0 2 2 4
29.80 52.64 2.9984 1 2 1 8
30.46 10.96 2.9348 2 1 2 8
31.13 15.59 2.8734 2 0 3 4
31.94 2.64 2.8017 1 2 2 8
33.90 1.07 2.6440 2 1 3 8
35.08 24.68 2.5578 1 0 5 4
35.26 12.43 2.5455 1 2 3 8
35.53 3.11 2.5269 0 1 5 4
35.79 4.98 2.5092 2 0 4 4
35.96 51.79 2.4975 2 2 0 4
36.58 5.43 2.4566 2 2 1 8
36.93 8.50 2.4339 3 0 1 4
37.50 13.88 2.3981 0 2 4 4
37.60 2.39 2.3920 1 1 5 8
38.27 5.53 2.3521 2 1 4 8
39.35 4.15 2.2897 3 1 1 8
39.49 30.99 2.2819 1 2 4 8
39.69 10.57 2.2707 0 0 6 2
41.06 5.70 2.1985 3 1 2 8
41.25 7.53 2.1884 2 2 3 8
41.57 26.46 2.1723 3 0 3 4
41.59 2.01 2.1713 1 0 6 4
42.48 8.99 2.1279 1 3 1 8
43.32 1.44 2.0886 2 1 5 8
43.78 3.61 2.0680 3 1 3 8
44.09 3.27 2.0541 1 3 2 8
45.01 4.75 2.0141 2 2 4 8
45.31 4.97 2.0015 3 0 4 4
45.96 1.18 1.9745 3 2 1 8
46.66 4.59 1.9465 1 3 3 8
47.22 2.87 1.9247 2 3 0 4
47.48 1.59 1.9151 3 2 2 8
47.72 3.17 1.9058 2 3 1 8
48.35 9.47 1.8826 1 0 7 4
48.69 3.73 1.8702 0 1 7 4
48.92 5.24 1.8618 2 1 6 8
49.11 1.59 1.8553 4 0 0 2
49.19 3.65 1.8522 2 3 2 8
49.59 3.50 1.8383 4 0 1 4
50.31 1.58 1.8135 1 1 7 8
51.52 6.52 1.7738 4 1 1 8
51.71 5.78 1.7677 3 1 5 8
52.74 4.50 1.7356 0 3 5 4
52.92 3.90 1.7303 4 1 2 8
53.14 1.72 1.7236 2 0 7 4
53.20 3.39 1.7218 3 2 4 8
53.34 3.78 1.7175 4 0 3 4
53.83 1.25 1.7030 0 0 8 2
54.33 21.02 1.6885 0 4 0 2
54.63 11.97 1.6801 2 2 6 8
54.78 3.02 1.6757 2 3 4 8
54.98 4.47 1.6700 2 1 7 8
55.35 1.79 1.6599 1 0 8 4
56.28 1.08 1.6345 1 4 1 8
56.48 3.11 1.6292 4 0 4 4
56.69 1.61 1.6237 3 1 6 8
56.93 3.49 1.6174 3 3 2 8
57.04 2.92 1.6146 4 2 1 8
57.14 2.76 1.6119 1 1 8 8
57.22 6.62 1.6100 3 2 5 8
57.60 1.37 1.6003 1 4 2 8
58.25 1.68 1.5838 4 1 4 8
58.34 13.30 1.5816 4 2 2 8
58.73 2.03 1.5721 2 3 5 8
59.10 3.43 1.5632 3 3 3 8
59.75 10.86 1.5478 2 0 8 4
60.21 1.46 1.5369 2 4 0 4
60.48 3.43 1.5309 4 2 3 8
60.64 2.56 1.5272 2 4 1 8
60.93 7.38 1.5206 0 2 8 4
61.46 1.01 1.5087 2 1 8 8
61.89 6.35 1.4992 2 4 2 8
62.06 3.00 1.4955 4 1 5 8
62.33 1.38 1.4896 1 2 8 8
62.67 9.64 1.4823 1 4 4 8
62.92 1.18 1.4771 0 1 9 4
63.15 1.94 1.4724 0 3 7 4
63.35 2.95 1.4682 2 3 6 8
63.39 1.53 1.4674 4 2 4 8
63.95 1.97 1.4558 2 4 3 8
64.30 2.36 1.4487 1 1 9 8
64.66 2.80 1.4415 5 1 1 8
65.56 4.54 1.4239 4 3 1 8
65.72 2.54 1.4207 3 3 5 8
66.33 4.13 1.4092 1 4 5 8
66.76 1.82 1.4011 4 3 2 8
66.78 1.63 1.4009 2 4 4 8
67.19 6.51 1.3933 3 2 7 8
67.52 2.19 1.3873 3 4 1 8
67.87 2.37 1.3810 5 1 3 8
68.29 2.72 1.3734 3 1 8 8
68.35 2.21 1.3724 2 1 9 8
68.57 3.06 1.3686 2 3 7 8
69.18 1.51 1.3580 1 2 9 8
69.36 2.66 1.3549 0 4 6 4
69.53 2.81 1.3521 5 2 1 8
70.48 1.59 1.3360 1 3 8 8
70.66 5.32 1.3331 3 4 3 8
70.70 2.05 1.3325 5 2 2 8
71.65 1.03 1.3171 4 1 7 8
72.63 2.84 1.3017 5 2 3 8
73.36 1.02 1.2906 3 4 4 8
74.08 2.53 1.2798 5 1 5 8
74.93 1.10 1.2674 4 3 5 8
75.66 2.67 1.2570 1 4 7 8
76.99 2.33 1.2386 1 3 9 8
78.62 1.30 1.2169 6 0 2 4
79.02 1.93 1.2118 6 1 1 8
79.62 1.13 1.2041 4 4 3 8
79.78 1.86 1.2021 1 1 11 8
80.27 1.53 1.1960 2 2 10 8
80.31 2.15 1.1954 5 3 3 8
80.71 1.92 1.1905 3 3 8 8
80.77 1.09 1.1899 2 3 9 8
81.92 2.11 1.1760 4 2 8 8
82.22 1.05 1.1724 4 4 4 8
83.89 1.13 1.1533 4 3 7 8
85.01 4.15 1.1410 2 4 8 8
86.23 1.58 1.1280 5 3 5 8
86.45 1.30 1.1257 0 6 0 2
87.89 2.35 1.1109 6 1 5 8
89.07 1.40 1.0992 6 2 4 8
89.18 1.31 1.0981 4 0 10 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.