Allochalcoselite
Krivovichev S V, Filatov S K, Burns P C, Vergasova L P
The Canadian Mineralogist 44 (2006) 507-514
The crystal structure of allochalcoselite, Cu+Cu2+5PbO2(SeO3)2Cl5,
a mineral with well-defined Cu+ and Cu2+ positions
Locality: fumaroles of the Great Tolbachik fissure eruption, Kamchatka Peninsula, Russia
_database_code_amcsd 0006091
CELL PARAMETERS: 18.4680 6.1475 15.3140 90.000 119.284 90.000
SPACE GROUP: C2/m
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1516.443
Density (g/cm3): 4.606
MAX. ABS. INTENSITY / VOLUME**2: 23.60878891
RIR: 1.669
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
6.62 40.09 13.3570 0 0 1 2
9.66 46.38 9.1563 -2 0 1 2
10.99 25.64 8.0539 2 0 0 2
12.41 15.13 7.1339 -2 0 2 2
13.26 26.68 6.6785 0 0 2 2
15.38 1.19 5.7624 2 0 1 2
15.43 1.17 5.7434 1 1 0 4
15.70 5.91 5.6457 -1 1 1 4
17.42 2.50 5.0911 -2 0 3 2
17.84 79.06 4.9711 1 1 1 4
18.54 15.01 4.7869 -1 1 2 4
19.39 14.48 4.5782 -4 0 2 2
19.67 14.35 4.5137 -4 0 1 2
19.94 2.96 4.4523 0 0 3 2
20.47 1.98 4.3391 -3 1 1 4
21.03 19.55 4.2248 2 0 2 2
21.08 11.05 4.2150 -3 1 2 4
21.98 4.57 4.0440 3 1 0 4
22.07 1.33 4.0270 4 0 0 2
22.10 7.56 4.0216 1 1 2 4
23.04 70.71 3.8599 -1 1 3 4
23.32 20.85 3.8146 -2 0 4 2
23.65 18.53 3.7616 -3 1 3 4
24.96 9.81 3.5670 -4 0 4 2
25.25 100.00 3.5269 3 1 1 4
26.05 1.50 3.4208 4 0 1 2
26.70 9.24 3.3392 0 0 4 2
27.22 3.75 3.2766 2 0 3 2
27.40 1.33 3.2547 1 1 3 4
27.68 3.15 3.2230 -3 1 4 4
28.19 1.50 3.1660 -5 1 2 4
29.03 1.65 3.0761 -5 1 1 4
29.05 96.38 3.0738 0 2 0 2
29.16 43.06 3.0627 -6 0 2 2
29.64 12.64 3.0141 -2 0 5 2
29.75 4.07 3.0035 3 1 2 4
29.75 9.92 3.0035 -4 0 5 2
29.83 2.19 2.9955 0 2 1 4
30.59 13.81 2.9226 -6 0 1 2
30.68 3.25 2.9139 -2 2 1 4
30.89 9.79 2.8952 -6 0 4 2
31.14 13.89 2.8717 2 2 0 4
31.18 16.27 2.8682 -5 1 4 4
31.35 10.37 2.8535 5 1 0 4
31.70 13.53 2.8229 -2 2 2 4
32.05 21.35 2.7922 0 2 2 4
32.67 30.57 2.7413 -3 1 5 4
33.03 2.90 2.7120 2 2 1 4
33.31 1.57 2.6901 1 1 4 4
33.55 2.03 2.6714 0 0 5 2
33.71 33.58 2.6587 2 0 4 2
33.83 2.46 2.6494 -6 0 5 2
34.47 41.94 2.6019 -1 1 5 4
34.66 22.03 2.5883 -5 1 5 4
34.88 12.12 2.5721 5 1 1 4
35.04 14.97 2.5606 3 1 3 4
35.17 25.08 2.5519 -4 2 2 4
35.26 21.70 2.5456 -4 0 6 2
35.33 11.55 2.5406 -4 2 1 4
36.14 56.03 2.4855 2 2 2 4
36.23 1.31 2.4796 -2 0 6 2
36.69 5.41 2.4494 4 0 3 2
36.78 2.06 2.4433 4 2 0 4
37.10 9.21 2.4234 -7 1 3 4
37.25 3.86 2.4138 6 0 1 2
37.93 18.39 2.3724 -7 1 4 4
38.67 20.99 2.3285 -4 2 4 4
39.05 13.71 2.3064 -8 0 3 2
39.08 2.35 2.3052 -5 1 6 4
39.17 27.48 2.2997 -7 1 1 4
39.36 7.88 2.2891 -8 0 4 2
39.41 3.64 2.2863 4 2 1 4
39.61 6.18 2.2752 1 1 5 4
39.86 7.91 2.2615 0 2 4 4
39.94 4.45 2.2571 -7 1 5 4
39.95 5.64 2.2569 -8 0 2 2
40.23 7.63 2.2418 2 2 3 4
40.44 1.80 2.2304 2 0 5 2
40.84 5.43 2.2096 -1 1 6 4
40.85 4.28 2.2091 -8 0 5 2
40.90 5.89 2.2065 3 1 4 4
41.63 11.97 2.1696 -6 2 2 4
41.92 14.05 2.1551 7 1 0 4
41.98 8.64 2.1521 -2 2 5 4
42.06 6.24 2.1482 -4 2 5 4
42.69 4.43 2.1180 -6 2 1 4
42.81 3.02 2.1124 4 0 4 2
43.01 2.80 2.1029 -7 1 6 4
43.03 5.65 2.1021 4 2 2 4
43.42 1.59 2.0843 -8 0 6 2
44.41 10.53 2.0399 -3 1 7 4
44.52 6.90 2.0350 5 1 3 4
44.96 3.55 2.0163 0 2 5 4
45.09 4.66 2.0108 2 2 4 4
45.18 4.20 2.0068 -6 2 5 4
45.55 8.28 1.9914 1 3 1 4
45.61 1.76 1.9891 7 1 1 4
45.85 1.38 1.9790 -1 3 2 4
46.24 6.95 1.9635 1 1 6 4
46.31 6.78 1.9605 -4 2 6 4
46.73 5.17 1.9439 -9 1 4 4
46.89 2.78 1.9377 -9 1 3 4
46.97 15.63 1.9347 -7 1 7 4
47.04 1.91 1.9318 -3 3 2 4
47.09 3.60 1.9299 -2 2 6 4
47.39 7.33 1.9182 2 0 6 2
47.46 1.69 1.9156 4 2 3 4
47.49 1.12 1.9145 3 3 0 4
47.52 1.06 1.9134 -1 1 7 4
47.55 1.42 1.9121 1 3 2 4
47.61 6.15 1.9098 -9 1 5 4
47.68 4.74 1.9073 -4 0 8 2
48.04 7.20 1.8939 -1 3 3 4
48.08 1.93 1.8925 -9 1 2 4
48.08 1.56 1.8924 -6 0 8 2
48.37 4.21 1.8819 -3 3 3 4
48.40 6.14 1.8808 -6 2 6 4
49.25 10.76 1.8503 3 3 1 4
49.30 1.27 1.8483 4 0 5 2
49.40 3.60 1.8448 -8 2 3 4
49.90 1.70 1.8274 -10 0 3 2
50.08 3.54 1.8215 7 1 2 4
50.08 3.58 1.8215 -2 0 8 2
50.26 5.92 1.8154 5 1 4 4
50.63 14.35 1.8030 0 2 6 4
51.22 1.94 1.7835 -10 0 6 2
51.85 3.62 1.7634 6 2 2 4
51.86 2.25 1.7630 -8 2 1 4
52.85 3.55 1.7323 -5 3 4 4
52.96 1.86 1.7290 5 3 0 4
53.09 1.32 1.7251 -8 2 6 4
53.31 2.95 1.7184 9 1 0 4
53.58 1.88 1.7105 -10 0 7 2
53.58 7.44 1.7104 8 0 2 2
53.83 8.19 1.7031 -3 3 5 4
54.04 1.54 1.6970 -6 0 9 2
54.48 4.91 1.6843 8 2 0 4
55.05 7.76 1.6681 -1 3 5 4
55.18 4.63 1.6645 -5 3 5 4
55.21 1.49 1.6638 7 1 3 4
55.34 2.53 1.6601 5 3 1 4
55.45 3.00 1.6570 3 3 3 4
56.14 2.65 1.6384 -8 2 7 4
56.14 3.75 1.6383 4 0 6 2
56.20 1.60 1.6367 -8 0 9 2
56.78 7.46 1.6214 -10 0 8 2
56.79 2.42 1.6212 0 2 7 4
56.81 1.11 1.6206 -4 2 8 4
56.91 3.11 1.6180 -7 3 3 4
57.17 4.37 1.6113 9 1 1 4
57.51 5.04 1.6026 -7 3 4 4
57.75 1.94 1.5964 -3 1 9 4
57.92 5.53 1.5922 8 2 1 4
57.92 5.40 1.5921 -11 1 6 4
58.29 2.32 1.5830 -10 2 4 4
58.42 5.46 1.5796 -7 3 1 4
58.68 1.79 1.5732 -10 2 5 4
58.75 1.17 1.5716 1 3 5 4
58.78 9.44 1.5708 -10 2 3 4
58.94 15.47 1.5670 -2 2 8 4
59.00 2.27 1.5656 -7 3 5 4
59.57 2.13 1.5519 -11 1 2 4
59.58 1.94 1.5518 6 0 5 2
59.67 1.79 1.5495 -1 3 6 4
59.72 1.36 1.5484 3 3 4 4
59.74 5.66 1.5479 -11 1 7 4
59.97 11.48 1.5426 -10 2 6 4
59.97 2.42 1.5426 -8 2 8 4
60.16 5.38 1.5380 -10 2 2 4
60.21 20.79 1.5369 0 4 0 2
60.29 2.24 1.5351 -9 1 9 4
60.37 2.06 1.5332 1 1 8 4
60.45 4.15 1.5314 -12 0 4 2
60.50 3.75 1.5303 7 3 0 4
60.75 1.49 1.5246 -10 0 9 2
60.91 1.04 1.5209 7 1 4 4
61.24 2.54 1.5136 10 0 1 2
61.65 1.23 1.5046 -12 0 3 2
61.74 4.60 1.5026 9 1 2 4
61.77 1.74 1.5018 6 2 4 4
61.77 6.50 1.5018 -1 1 9 4
61.78 3.23 1.5017 -8 0 10 2
62.04 2.64 1.4959 2 0 8 2
62.10 2.28 1.4946 8 2 2 4
62.16 2.14 1.4934 -11 1 1 4
62.39 6.05 1.4884 -10 2 1 4
62.39 2.29 1.4884 -11 1 8 4
62.44 2.20 1.4874 -3 3 7 4
62.52 1.54 1.4856 -6 2 9 4
62.52 1.85 1.4855 5 3 3 4
62.74 2.92 1.4809 -5 1 10 4
63.40 2.17 1.4671 0 2 8 4
63.89 2.01 1.4570 1 3 6 4
64.00 1.03 1.4549 -4 4 1 4
64.29 1.70 1.4489 -9 3 4 4
64.42 1.07 1.4464 -9 3 3 4
64.45 8.70 1.4458 4 2 6 4
64.48 6.28 1.4451 -7 3 7 4
64.50 4.36 1.4447 -8 2 9 4
64.52 1.20 1.4443 2 4 2 4
64.71 1.80 1.4406 8 0 4 2
64.96 2.71 1.4355 -3 1 10 4
65.01 1.77 1.4347 -9 3 5 4
65.04 1.66 1.4341 -10 2 8 4
65.41 1.03 1.4268 -10 0 10 2
65.48 1.68 1.4255 -2 4 4 4
67.04 1.14 1.3961 7 3 2 4
67.19 2.39 1.3933 5 3 4 4
67.63 5.51 1.3853 6 2 5 4
67.91 1.55 1.3802 -13 1 6 4
67.93 1.44 1.3798 1 1 9 4
68.15 1.02 1.3760 -12 2 5 4
68.21 1.22 1.3749 3 1 8 4
68.28 6.64 1.3736 -6 4 2 4
68.45 2.22 1.3707 -12 2 4 4
68.54 1.76 1.3692 -2 4 5 4
68.59 1.40 1.3682 -4 4 5 4
69.05 2.07 1.3603 -6 4 1 4
69.21 1.46 1.3575 -6 4 4 4
69.26 1.81 1.3565 -7 1 11 4
69.40 1.25 1.3541 -1 1 10 4
69.69 13.00 1.3493 -8 2 10 4
69.77 1.17 1.3480 9 3 0 4
69.81 1.15 1.3473 -13 1 3 4
69.81 5.54 1.3472 -5 1 11 4
70.22 3.20 1.3404 5 1 7 4
70.82 5.58 1.3306 2 4 4 4
71.09 1.28 1.3261 8 0 5 2
71.15 1.52 1.3251 4 2 7 4
71.35 2.01 1.3219 10 0 3 2
71.71 2.03 1.3162 -14 0 5 2
71.74 4.62 1.3157 -4 4 6 4
72.05 1.92 1.3108 -13 1 2 4
72.62 1.23 1.3018 4 4 3 4
72.98 1.06 1.2964 6 4 1 4
73.11 2.01 1.2944 9 3 1 4
73.32 1.65 1.2912 -13 1 9 4
73.77 2.76 1.2844 -11 3 6 4
74.05 1.00 1.2803 6 2 6 4
74.14 2.91 1.2789 -8 4 3 4
74.34 1.30 1.2760 -8 4 4 4
74.64 1.19 1.2715 -6 0 12 2
75.39 2.71 1.2609 -11 3 7 4
75.67 1.69 1.2569 -12 0 11 2
75.88 1.05 1.2539 -9 3 9 4
77.18 2.09 1.2360 9 3 2 4
77.21 3.32 1.2355 -1 3 9 4
77.56 1.07 1.2308 -11 3 1 4
77.61 1.66 1.2301 12 2 0 4
77.77 1.40 1.2280 -11 3 8 4
78.09 1.29 1.2238 -5 3 10 4
78.82 1.69 1.2143 0 0 11 2
79.99 2.53 1.1994 2 4 6 4
80.12 1.52 1.1979 -3 3 10 4
80.21 1.96 1.1967 -4 4 8 4
80.48 1.72 1.1934 -1 5 3 4
81.21 1.59 1.1845 7 1 7 4
81.40 2.56 1.1823 3 5 1 4
82.04 1.41 1.1746 -2 4 8 4
83.01 1.19 1.1634 -12 2 11 4
84.14 1.66 1.1506 14 0 0 2
84.36 1.20 1.1482 1 1 11 4
84.63 3.01 1.1451 -5 3 11 4
84.81 2.94 1.1432 8 4 2 4
85.01 1.13 1.1410 -3 5 5 4
85.02 1.89 1.1409 5 3 7 4
86.01 2.27 1.1303 -1 5 5 4
86.10 1.39 1.1293 0 2 11 4
86.12 1.11 1.1291 -5 5 5 4
86.34 1.17 1.1268 3 5 3 4
86.91 1.41 1.1209 4 4 6 4
87.44 2.77 1.1154 -10 4 8 4
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.