Grechishchevite
Pervukhina N V, Vasil'ev V I, Borisov S V, Magarill S A, Naumov D Y
The Canadian Mineralogist 41 (2003) 1445-1453
The crystal structure of a polymorph of Hg3S2Br1Cl.5I.5
Locality: synthetic
_database_code_amcsd 0005919
CELL PARAMETERS: 13.2490 13.2590 8.7100 90.000 90.000 90.000
SPACE GROUP: Pbnm
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1530.073
Density (g/cm3): 7.179
MAX. ABS. INTENSITY / VOLUME**2: 104.4674028
RIR: 4.738
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
9.44 100.00 9.3720 1 1 0 4
12.16 7.34 7.2781 1 0 1 4
13.88 24.19 6.3801 1 1 1 8
16.81 1.11 5.2753 0 2 1 4
18.10 21.65 4.9011 1 2 1 8
18.11 7.44 4.8995 2 1 1 8
18.94 3.77 4.6860 2 2 0 4
20.39 4.93 4.3550 0 0 2 2
21.19 6.56 4.1925 1 3 0 4
21.20 7.11 4.1900 3 1 0 4
21.53 10.81 4.1267 2 2 1 8
22.51 56.06 3.9494 1 1 2 8
22.57 8.17 3.9389 3 0 1 4
23.55 4.08 3.7777 1 3 1 8
23.56 6.51 3.7758 3 1 1 8
24.21 10.85 3.6765 2 3 0 4
24.22 10.55 3.6755 3 2 0 4
24.46 2.33 3.6399 0 2 2 4
24.46 1.77 3.6391 2 0 2 4
25.38 1.83 3.5098 1 2 2 8
25.38 2.15 3.5093 2 1 2 8
26.31 3.71 3.3871 2 3 1 8
26.90 1.81 3.3147 0 4 0 2
26.92 1.71 3.3122 4 0 0 2
27.97 8.18 3.1901 2 2 2 8
28.57 45.89 3.1240 3 3 0 4
28.82 13.71 3.0980 0 4 1 4
29.58 66.69 3.0204 1 3 2 8
29.59 65.15 3.0194 3 1 2 8
29.61 2.25 3.0166 1 4 1 8
29.63 12.22 3.0149 4 1 1 8
31.55 3.29 2.8360 1 0 3 4
31.85 1.27 2.8093 2 3 2 8
31.86 1.00 2.8088 3 2 2 8
32.28 5.30 2.7733 1 1 3 8
33.81 19.86 2.6511 3 4 0 4
33.82 17.72 2.6505 4 3 0 4
33.99 52.11 2.6376 0 4 2 4
34.01 55.16 2.6364 4 0 2 4
34.39 4.31 2.6075 1 2 3 8
34.49 5.51 2.6002 1 5 0 4
34.52 6.20 2.5984 5 1 0 4
34.68 18.59 2.5869 1 4 2 8
34.69 17.04 2.5858 4 1 2 8
35.41 2.95 2.5351 5 0 1 4
36.05 1.59 2.4916 1 5 1 8
36.40 1.75 2.4680 2 2 3 8
36.50 5.16 2.4619 2 5 0 4
36.52 5.14 2.4605 5 2 0 4
36.67 1.57 2.4505 2 4 2 8
36.68 1.10 2.4498 4 2 2 8
37.06 1.00 2.4260 3 0 3 4
37.69 1.84 2.3869 1 3 3 8
37.69 2.18 2.3864 3 1 3 8
38.42 31.31 2.3430 4 4 0 4
39.55 3.98 2.2785 2 3 3 8
39.64 6.95 2.2734 3 5 0 4
39.66 7.10 2.2726 5 3 0 4
39.84 1.04 2.2626 4 4 1 8
40.84 2.21 2.2098 0 6 0 2
40.87 1.69 2.2082 6 0 0 2
41.04 1.32 2.1990 5 3 1 8
41.34 3.00 2.1840 0 4 3 4
41.42 2.17 2.1797 1 6 0 4
41.46 2.42 2.1782 6 1 0 4
41.47 37.82 2.1775 0 0 4 2
41.94 3.57 2.1543 4 1 3 8
42.17 3.44 2.1431 2 5 2 8
42.18 2.63 2.1423 5 2 2 8
42.63 4.91 2.1210 1 1 4 8
43.15 2.85 2.0963 2 6 0 4
43.18 2.88 2.0950 6 2 0 4
43.88 9.17 2.0633 4 4 2 8
44.45 1.88 2.0381 2 6 1 8
44.98 2.36 2.0154 3 5 2 8
44.99 3.23 2.0148 5 3 2 8
45.01 2.77 2.0140 4 5 1 8
46.39 2.39 1.9572 5 0 3 4
47.02 1.56 1.9324 1 3 4 8
47.03 1.57 1.9322 3 1 4 8
47.18 2.63 1.9264 6 3 1 8
48.18 1.62 1.8888 2 6 2 8
48.20 1.53 1.8879 6 2 2 8
48.55 4.88 1.8751 1 7 0 4
48.59 5.52 1.8737 7 1 0 4
48.60 2.68 1.8735 2 3 4 8
48.60 2.68 1.8734 3 2 4 8
48.70 6.76 1.8696 4 5 2 8
48.71 6.29 1.8694 5 4 2 8
49.76 1.52 1.8324 5 5 1 8
50.02 1.29 1.8233 4 4 3 8
50.09 2.31 1.8212 2 7 0 4
50.12 2.04 1.8200 7 2 0 4
50.73 1.67 1.7996 3 6 2 8
50.75 2.24 1.7989 6 3 2 8
51.13 14.23 1.7864 3 3 4 8
53.69 2.00 1.7070 3 7 1 8
53.95 1.31 1.6996 2 6 3 8
54.16 3.75 1.6936 4 6 2 8
54.17 3.05 1.6932 6 4 2 8
54.44 1.77 1.6855 4 5 3 8
54.54 7.46 1.6827 3 4 4 8
54.54 6.62 1.6825 4 3 4 8
54.62 13.33 1.6802 2 7 2 8
54.66 12.54 1.6793 7 2 2 8
55.00 2.09 1.6694 1 5 4 8
55.02 2.45 1.6690 5 1 4 8
55.91 7.08 1.6446 1 8 0 4
55.95 6.52 1.6434 8 1 0 4
56.41 2.33 1.6310 2 5 4 8
56.43 2.17 1.6307 5 2 4 8
56.97 2.53 1.6164 3 7 2 8
57.00 2.90 1.6157 7 3 2 8
57.81 14.65 1.5950 4 4 4 8
58.71 3.49 1.5726 3 5 4 8
58.72 3.62 1.5723 5 3 4 8
59.61 1.14 1.5510 0 6 4 4
59.69 2.08 1.5490 0 8 2 4
59.74 2.39 1.5480 8 0 2 4
59.99 1.43 1.5420 0 4 5 4
60.06 1.04 1.5405 1 6 4 8
60.08 1.20 1.5400 6 1 4 8
60.18 1.05 1.5378 7 4 2 8
60.45 1.06 1.5315 4 1 5 8
61.39 1.54 1.5102 2 6 4 8
61.41 1.59 1.5097 6 2 4 8
63.25 4.01 1.4703 6 6 2 8
63.66 4.31 1.4617 3 8 2 8
63.70 3.85 1.4610 8 3 2 8
64.10 4.24 1.4527 5 7 2 8
64.12 4.44 1.4524 7 5 2 8
64.16 1.10 1.4515 9 0 1 4
64.85 2.15 1.4377 6 7 0 4
64.86 1.81 1.4375 7 6 0 4
65.01 1.82 1.4346 1 1 6 8
65.72 3.08 1.4209 1 7 4 8
65.75 3.44 1.4203 7 1 4 8
66.66 1.24 1.4031 4 8 2 8
66.69 1.60 1.4026 8 4 2 8
66.99 1.63 1.3970 2 7 4 8
67.02 1.47 1.3964 7 2 4 8
68.39 3.70 1.3718 1 3 6 8
68.39 3.64 1.3717 3 1 6 8
70.41 1.25 1.3373 5 8 2 8
70.81 1.30 1.3307 3 9 2 8
70.85 1.39 1.3300 9 3 2 8
70.87 3.89 1.3297 0 4 6 4
70.88 4.10 1.3296 4 0 6 4
71.28 1.42 1.3231 1 4 6 8
71.29 1.25 1.3229 4 1 6 8
71.95 5.09 1.3123 1 8 4 8
71.99 4.66 1.3117 8 1 4 8
76.46 1.11 1.2458 2 10 2 8
76.52 1.33 1.2450 10 2 2 8
77.32 1.15 1.2340 4 4 6 8
79.97 1.82 1.1998 6 7 4 8
79.97 1.54 1.1997 7 6 4 8
80.05 1.13 1.1987 7 8 2 8
81.09 1.66 1.1859 2 11 0 4
81.16 1.67 1.1851 11 2 0 4
84.71 2.09 1.1442 2 11 2 8
84.73 1.33 1.1441 5 10 2 8
84.77 1.32 1.1436 10 5 2 8
84.78 1.93 1.1435 11 2 2 8
85.55 2.24 1.1352 2 7 6 8
85.58 2.14 1.1349 7 2 6 8
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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.