Maucherite
Makovicky E, Merlino S
European Journal of Mineralogy 21 (2009) 855-862
OD (order-disorder) character of the crystal structure of maucherite Ni8As11
Note: maucherite-2M polytype
Locality: modelled structure, not experimental
_database_code_amcsd 0007325
CELL PARAMETERS: 9.7180 9.7180 11.1770 90.000 102.550 90.000
SPACE GROUP: C2/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1030.330
Density (g/cm3): 8.025
MAX. ABS. INTENSITY / VOLUME**2: 59.51951380
RIR: 2.415
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.04 18.05 6.7881 1 1 0 4
14.26 13.04 6.2132 -1 1 1 4
16.42 4.81 5.3993 1 1 1 4
18.26 19.14 4.8590 0 2 0 2
18.71 3.16 4.7429 2 0 0 2
19.22 2.03 4.6171 -1 1 2 4
20.00 5.37 4.4387 0 2 1 4
22.00 13.33 4.0402 -2 0 2 2
25.93 8.33 3.4357 -1 1 3 4
26.26 4.09 3.3940 -2 2 1 4
29.13 7.52 3.0655 1 3 0 4
29.62 10.71 3.0163 1 1 3 4
29.71 15.61 3.0068 3 1 0 4
29.71 32.24 3.0067 -1 3 1 4
30.85 2.40 2.8987 1 3 1 4
30.85 4.09 2.8986 -3 1 2 4
32.48 9.29 2.7565 3 1 1 4
32.48 3.76 2.7564 -1 3 2 4
32.84 20.57 2.7275 0 0 4 2
33.19 34.39 2.6996 2 2 2 4
33.19 34.04 2.6995 -2 2 3 4
33.45 5.08 2.6790 -1 1 4 4
34.56 5.03 2.5956 -3 1 3 4
37.00 3.41 2.4296 3 1 2 4
37.00 4.44 2.4295 0 4 0 2
37.00 8.46 2.4294 -1 3 3 4
37.40 6.79 2.4048 1 1 4 4
37.83 1.67 2.3784 0 2 4 4
37.94 25.00 2.3715 4 0 0 2
37.94 22.22 2.3714 0 4 1 4
37.94 7.55 2.3714 -4 0 2 2
39.39 4.29 2.2874 -3 3 1 4
39.84 10.58 2.2627 3 3 0 4
40.65 1.16 2.2193 0 4 2 4
40.73 4.00 2.2155 -3 3 2 4
41.56 5.33 2.1730 -4 2 1 4
41.63 1.45 2.1694 2 0 4 2
41.77 1.73 2.1623 2 4 0 4
42.02 4.27 2.1501 3 3 1 4
42.80 19.58 2.1128 3 1 3 4
42.80 8.84 2.1127 -1 3 4 4
43.46 1.99 2.0821 2 4 1 4
43.71 7.70 2.0711 -3 3 3 4
44.87 21.13 2.0202 4 0 2 2
44.87 54.44 2.0202 0 4 3 4
44.87 18.86 2.0201 -4 0 4 2
45.61 3.15 1.9891 1 1 5 4
45.74 5.58 1.9837 3 3 2 4
45.80 4.85 1.9810 2 2 4 4
45.81 7.52 1.9809 -2 2 5 4
46.07 7.12 1.9701 1 3 4 4
46.07 6.30 1.9701 -3 1 5 4
46.70 1.93 1.9452 2 4 2 4
47.77 4.89 1.9040 -5 1 1 4
47.77 5.07 1.9040 1 5 0 4
48.09 2.95 1.8920 -3 3 4 4
48.15 8.09 1.8897 -1 5 1 4
48.15 18.60 1.8897 -5 1 2 4
48.92 5.68 1.8620 5 1 0 4
48.92 9.87 1.8620 1 5 1 4
49.55 9.22 1.8398 3 1 4 4
49.55 6.99 1.8397 -1 3 5 4
49.64 1.76 1.8364 -2 0 6 2
49.86 4.08 1.8289 -1 1 6 4
50.05 4.22 1.8226 -1 5 2 4
50.05 1.39 1.8226 -5 1 3 4
50.17 11.43 1.8183 0 0 6 2
50.29 1.44 1.8142 0 4 4 4
51.25 1.93 1.7826 -2 4 4 4
53.21 2.21 1.7215 1 3 5 4
53.21 3.34 1.7214 -3 1 6 4
53.33 16.78 1.7179 2 2 5 4
53.33 67.47 1.7179 -4 4 1 4
53.33 1.52 1.7179 -5 1 4 4
53.33 14.18 1.7178 -2 2 6 4
53.95 1.63 1.6996 4 2 3 4
54.04 2.54 1.6970 4 4 0 4
54.04 1.29 1.6970 -4 4 2 4
56.70 1.81 1.6234 4 0 4 2
56.70 7.13 1.6234 0 4 5 4
56.71 7.10 1.6233 -4 0 6 2
57.04 3.15 1.6145 3 1 5 4
57.05 2.35 1.6144 -1 3 6 4
57.84 2.65 1.5942 -1 5 4 4
57.84 1.58 1.5942 -5 1 5 4
60.12 2.15 1.5390 -3 3 6 4
60.23 1.74 1.5366 3 5 2 4
60.39 2.46 1.5328 -6 2 1 4
60.39 1.21 1.5328 2 6 0 4
60.50 1.86 1.5303 5 1 3 4
61.05 2.72 1.5178 -3 1 7 4
61.48 4.85 1.5082 2 2 6 4
61.49 6.22 1.5081 -2 2 7 4
61.70 1.25 1.5034 6 2 0 4
61.70 1.29 1.5034 2 6 1 4
62.19 1.92 1.4927 -3 5 4 4
62.80 2.00 1.4796 0 6 3 4
63.68 1.30 1.4612 3 3 5 4
63.95 1.34 1.4558 0 4 6 4
64.06 13.36 1.4536 4 4 3 4
64.06 9.98 1.4536 -4 4 5 4
64.27 2.22 1.4493 2 6 2 4
64.27 3.60 1.4493 -2 6 3 4
64.27 2.77 1.4493 -6 2 4 4
64.43 1.50 1.4461 -5 3 5 4
68.03 1.56 1.3782 -6 2 5 4
68.59 1.33 1.3682 -1 7 1 4
68.85 5.36 1.3637 0 0 8 2
69.20 1.82 1.3576 1 7 1 4
69.66 1.10 1.3497 -4 4 6 4
70.12 1.78 1.3421 7 1 0 4
71.33 2.40 1.3222 -7 1 4 4
71.43 1.68 1.3206 3 3 6 4
71.98 1.28 1.3119 4 0 6 2
72.83 2.10 1.2986 -1 7 3 4
72.83 1.49 1.2986 -5 5 4 4
72.88 1.19 1.2979 6 2 3 4
72.88 1.44 1.2979 2 6 4 4
74.62 1.95 1.2719 5 5 2 4
75.61 1.33 1.2577 -3 3 8 4
76.24 1.71 1.2488 4 4 5 4
76.25 1.54 1.2487 -4 4 7 4
76.69 1.42 1.2426 -5 5 5 4
78.78 2.32 1.2148 6 2 4 4
78.79 1.93 1.2148 2 6 5 4
78.79 5.06 1.2148 0 8 0 2
78.79 6.76 1.2148 -8 0 2 2
78.79 1.31 1.2147 1 3 8 4
78.79 5.31 1.2147 -2 6 6 4
78.79 6.24 1.2147 -6 2 7 4
78.79 3.07 1.2147 -3 1 9 4
80.00 1.41 1.1994 3 3 7 4
84.76 1.32 1.1437 -6 6 1 4
84.86 2.36 1.1426 -3 7 5 4
84.86 1.84 1.1426 -7 3 6 4
85.72 4.91 1.1334 6 2 5 4
85.72 3.55 1.1334 2 6 6 4
85.72 1.15 1.1333 -2 6 7 4
85.72 1.72 1.1333 -6 2 8 4
87.44 1.60 1.1155 7 3 3 4
87.44 1.66 1.1155 3 7 4 4
88.01 3.41 1.1097 8 0 2 2
88.01 7.55 1.1097 0 8 4 4
88.01 2.73 1.1096 -8 0 6 2
88.20 2.59 1.1078 6 6 1 4
88.20 2.31 1.1077 -6 6 4 4
88.87 1.63 1.1011 1 3 9 4
89.92 1.20 1.0910 0 0 10 2
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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.