Betpakdalite-CaCa
Cooper M A, Hawthorne F C
The Canadian Mineralogist 37 (1999) 61-66
The crystal structure of betpakdalite, and a new chemical formula:
{Mg(H2O)6}Ca2(H2O)13[Mo8As2Fe3O36(OH)](H2O)4
_database_code_amcsd 0005591
CELL PARAMETERS: 19.5310 11.0610 15.2570 90.000 131.570 90.000
SPACE GROUP: C2/m
X-RAY WAVELENGTH: 1.541838
Cell Volume: 2465.892
Density (g/cm3): 3.002
MAX. ABS. INTENSITY / VOLUME**2: 42.12685127
RIR: 4.569
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
7.75 27.75 11.4145 0 0 1 2
9.06 15.23 9.7607 -2 0 1 2
9.92 100.00 8.9173 -1 1 1 4
10.03 1.76 8.8192 1 1 0 4
11.74 6.74 7.5359 -2 0 2 2
12.11 26.90 7.3060 2 0 0 2
14.73 2.06 6.0144 -1 1 2 4
14.95 3.44 5.9246 1 1 1 4
16.03 5.55 5.5305 0 2 0 2
16.17 7.94 5.4810 -3 1 2 4
16.38 3.73 5.4128 -3 1 1 4
18.18 2.04 4.8803 -4 0 2 2
18.44 2.14 4.8118 -2 2 1 4
19.56 3.49 4.5391 -4 0 3 2
20.14 6.65 4.4096 2 2 0 4
23.38 2.73 3.8048 0 0 3 2
23.61 5.75 3.7680 -4 0 4 2
24.01 1.48 3.7071 -2 2 3 4
24.38 3.00 3.6517 -5 1 3 4
24.38 15.42 3.6511 2 2 1 4
24.81 1.83 3.5886 -3 1 4 4
24.91 1.72 3.5749 1 3 0 4
25.39 1.20 3.5080 2 0 2 2
25.49 2.20 3.4949 3 1 1 4
26.58 4.84 3.3532 -5 1 4 4
27.33 7.49 3.2638 1 3 1 4
28.15 3.57 3.1699 -3 3 1 4
28.29 6.43 3.1551 -6 0 4 2
28.77 2.13 3.1034 -6 0 2 2
28.77 4.14 3.1033 -1 1 4 4
29.05 2.07 3.0743 1 1 3 4
29.30 14.59 3.0481 4 2 0 4
29.31 1.33 3.0473 -4 0 5 2
29.71 6.53 3.0072 -2 2 4 4
30.06 12.69 2.9724 -3 3 3 4
30.17 2.21 2.9623 2 2 2 4
30.23 2.82 2.9561 4 0 1 2
30.41 3.19 2.9397 3 3 0 4
30.74 5.86 2.9083 -5 1 5 4
31.35 1.74 2.8530 -3 1 5 4
31.43 3.18 2.8461 -1 3 3 4
31.62 7.00 2.8300 1 3 2 4
31.67 2.62 2.8255 5 1 0 4
31.91 6.07 2.8043 -6 2 3 4
32.09 4.18 2.7892 -6 0 1 2
32.38 2.51 2.7652 0 4 0 2
32.41 3.60 2.7624 -2 0 5 2
32.98 4.37 2.7161 2 0 3 2
33.49 4.02 2.6759 -7 1 3 4
33.58 2.71 2.6690 -4 2 5 4
33.69 1.49 2.6605 -2 4 1 4
33.90 7.10 2.6441 -3 3 4 4
34.42 1.76 2.6059 3 3 1 4
34.87 1.03 2.5728 -7 1 5 4
35.26 2.26 2.5456 -5 3 4 4
35.28 3.02 2.5442 -6 2 5 4
35.57 3.53 2.5240 -7 1 2 4
36.07 1.61 2.4904 -6 2 1 4
36.25 1.03 2.4779 -5 1 6 4
36.78 1.37 2.4435 1 1 4 4
37.16 1.84 2.4193 -2 4 3 4
39.08 1.62 2.3048 -3 3 5 4
40.47 1.34 2.2288 6 2 0 4
41.24 1.76 2.1892 -2 4 4 4
41.43 1.03 2.1793 -8 2 3 4
42.80 1.88 2.1128 6 0 1 2
43.22 3.13 2.0931 -5 3 6 4
43.43 1.04 2.0836 -1 3 5 4
43.94 1.86 2.0605 5 1 2 4
44.15 1.38 2.0512 7 1 0 4
44.23 2.12 2.0478 -4 4 5 4
44.75 1.55 2.0254 -8 0 1 2
45.23 2.00 2.0048 -3 3 6 4
45.59 2.78 1.9898 -6 4 5 4
47.58 1.62 1.9110 -3 5 4 4
47.69 1.06 1.9068 -9 1 2 4
48.77 2.77 1.8674 -9 3 5 4
48.99 1.16 1.8592 -9 3 4 4
49.15 1.95 1.8536 -4 4 6 4
49.44 2.59 1.8435 0 6 0 2
49.93 1.63 1.8265 8 0 0 2
50.32 1.09 1.8133 -8 4 5 4
50.45 1.84 1.8090 -10 2 4 4
51.00 1.11 1.7907 -2 6 2 4
51.23 1.77 1.7833 -8 2 8 4
51.96 1.14 1.7599 2 2 5 4
52.78 1.23 1.7344 8 2 0 4
52.91 2.06 1.7303 3 3 4 4
54.15 1.05 1.6938 -8 0 9 2
55.02 1.76 1.6690 -4 4 7 4
55.16 1.45 1.6652 -6 0 9 2
55.38 1.29 1.6590 0 6 3 4
55.41 1.25 1.6583 1 5 4 4
55.95 1.27 1.6434 4 4 3 4
57.92 1.62 1.5920 -11 3 5 4
58.51 1.50 1.5776 -12 0 8 2
58.75 1.35 1.5715 -1 7 1 4
58.89 1.69 1.5682 -10 2 9 4
60.17 1.25 1.5379 -6 6 1 4
60.49 1.14 1.5304 3 3 5 4
60.72 1.72 1.5253 2 6 3 4
60.77 1.40 1.5241 8 4 0 4
61.69 2.21 1.5036 -4 4 8 4
62.15 1.20 1.4937 -7 1 10 4
62.49 1.24 1.4862 -6 6 6 4
62.61 1.12 1.4836 -5 3 9 4
66.71 2.14 1.4021 -12 4 6 4
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.