Arakiite
Cooper M A, Hawthorne F C
The Canadian Mineralogist 37 (1999) 1471-1482
The effect of differences in coordination on ordering of
polyvalent cations in close-packed structures: The crystal
structure of arakiite and comparison with hematolite
_database_code_amcsd 0005637
CELL PARAMETERS: 14.2360 8.2060 24.2250 90.000 93.520 90.000
SPACE GROUP: Cc
X-RAY WAVELENGTH: 1.541838
Cell Volume: 2824.641
Density (g/cm3): 3.412
MAX. ABS. INTENSITY / VOLUME**2: 8.494147359
RIR: 0.811
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
7.31 100.00 12.0896 0 0 2 1
12.46 7.09 7.1046 2 0 0 1
12.88 7.84 6.8751 -1 1 1 2
13.09 5.51 6.7618 1 1 1 2
14.07 2.24 6.2964 -2 0 2 1
14.65 63.93 6.0448 0 0 4 1
14.85 13.34 5.9673 2 0 2 1
16.37 15.31 5.4133 -1 1 3 2
16.89 24.63 5.2508 1 1 3 2
18.68 21.19 4.7501 -2 0 4 1
19.86 3.56 4.4704 2 0 4 1
21.66 35.69 4.1030 0 2 0 2
21.66 1.12 4.1021 3 1 0 2
21.78 39.76 4.0803 -3 1 1 2
21.91 12.38 4.0563 -1 1 5 2
21.97 2.24 4.0452 0 2 1 2
22.06 45.68 4.0299 0 0 6 1
22.17 19.04 4.0093 3 1 1 2
22.51 6.56 3.9490 -3 1 2 2
22.56 24.85 3.9420 1 1 5 2
22.89 3.22 3.8853 0 2 2 2
23.27 9.20 3.8232 3 1 2 2
23.81 2.13 3.7371 -3 1 3 2
24.34 12.31 3.6565 0 2 3 2
24.72 1.66 3.6014 -2 0 6 1
25.06 2.75 3.5530 2 2 0 2
25.07 1.09 3.5523 4 0 0 1
25.59 11.61 3.4814 -3 1 4 2
25.70 2.95 3.4663 -4 0 2 1
25.92 10.78 3.4376 -2 2 2 2
26.08 12.86 3.4164 2 0 6 1
26.25 8.80 3.3948 0 2 4 2
26.36 21.54 3.3809 2 2 2 2
26.58 6.37 3.3530 4 0 2 1
26.91 12.29 3.3135 3 1 4 2
27.75 1.15 3.2149 2 2 3 2
27.76 29.84 3.2137 -3 1 5 2
28.35 15.34 3.1482 -4 0 4 1
28.38 32.93 3.1448 -1 1 7 2
28.53 18.61 3.1286 0 2 5 2
28.75 21.41 3.1050 -2 2 4 2
29.09 17.55 3.0698 1 1 7 2
29.29 24.41 3.0493 3 1 5 2
29.55 28.23 3.0228 2 2 4 2
29.56 13.10 3.0224 0 0 8 1
29.95 20.13 2.9836 4 0 4 1
30.25 10.03 2.9544 -3 1 6 2
31.11 4.11 2.8751 0 2 6 2
31.45 8.52 2.8448 -2 0 8 1
31.95 9.58 2.8013 3 1 6 2
32.56 19.14 2.7498 -4 0 6 1
32.91 5.84 2.7217 2 0 8 1
33.00 1.63 2.7143 -3 1 7 2
33.10 17.29 2.7067 -2 2 6 2
33.36 2.33 2.6860 1 3 0 2
33.37 7.01 2.6854 5 1 0 2
33.40 7.89 2.6829 -4 2 1 2
33.53 5.06 2.6730 -1 3 1 2
33.75 3.37 2.6557 4 2 1 2
33.77 2.76 2.6543 -5 1 2 2
33.80 6.55 2.6521 5 1 1 2
33.85 8.50 2.6478 -4 2 2 2
33.92 6.34 2.6425 0 2 7 2
34.11 15.40 2.6285 -1 3 2 2
34.15 24.98 2.6254 2 2 6 2
34.28 1.24 2.6157 1 3 2 2
34.55 7.66 2.5963 4 2 2 2
34.59 8.20 2.5932 -5 1 3 2
34.64 4.00 2.5899 5 1 2 2
34.67 3.15 2.5872 4 0 6 1
34.71 1.89 2.5841 -4 2 3 2
34.83 3.66 2.5756 3 1 7 2
35.09 17.01 2.5572 -1 3 3 2
35.35 4.77 2.5394 1 3 3 2
35.35 1.90 2.5389 -1 1 9 2
35.86 18.16 2.5045 5 1 3 2
35.96 17.48 2.4977 -4 2 4 2
35.96 5.40 2.4975 -3 1 8 2
36.10 3.04 2.4878 1 1 9 2
36.45 5.99 2.4652 -1 3 4 2
36.77 3.03 2.4441 1 3 4 2
36.94 4.78 2.4335 0 2 8 2
37.18 9.28 2.4179 0 0 10 1
37.26 11.61 2.4131 4 2 4 2
37.35 11.52 2.4077 -5 1 5 2
37.43 21.69 2.4029 5 1 4 2
37.55 25.66 2.3955 -4 2 5 2
37.90 2.82 2.3737 3 1 8 2
37.99 1.03 2.3687 3 3 0 2
38.00 7.20 2.3682 6 0 0 1
38.06 13.61 2.3645 -3 3 1 2
38.14 14.98 2.3598 -1 3 5 2
38.28 3.45 2.3514 -6 0 2 1
38.29 7.12 2.3504 3 3 1 2
38.51 9.07 2.3379 -2 2 8 2
38.53 11.39 2.3366 1 3 5 2
39.09 1.22 2.3043 -3 1 9 2
39.12 2.42 2.3029 4 2 5 2
39.22 3.50 2.2970 -5 1 6 2
39.31 4.45 2.2919 5 1 5 2
39.45 3.56 2.2843 -4 2 6 2
40.00 2.09 2.2539 3 3 3 2
40.13 3.67 2.2471 -1 3 6 2
40.35 2.58 2.2352 4 0 8 1
40.58 4.99 2.2232 1 3 6 2
41.13 1.87 2.1946 3 1 9 2
41.25 1.91 2.1884 4 2 6 2
41.37 1.36 2.1823 -5 1 7 2
41.48 1.64 2.1771 5 1 6 2
41.63 1.52 2.1695 -4 2 7 2
41.81 4.19 2.1604 6 0 4 1
41.95 7.23 2.1535 -3 3 5 2
42.39 5.83 2.1324 -1 3 7 2
42.89 2.87 2.1086 1 3 7 2
43.03 4.57 2.1019 3 3 5 2
43.10 2.19 2.0988 -6 0 6 1
43.44 3.94 2.0831 0 2 10 2
43.64 7.73 2.0740 4 2 7 2
43.78 7.33 2.0679 -5 1 8 2
43.89 7.77 2.0629 5 1 7 2
44.05 7.57 2.0555 -4 2 8 2
44.15 3.36 2.0515 0 4 0 2
44.16 5.67 2.0511 6 2 0 2
44.68 2.79 2.0281 -2 2 10 2
44.88 10.51 2.0194 -1 3 8 2
44.99 1.11 2.0149 0 0 12 1
45.43 8.43 1.9963 1 3 8 2
45.78 3.82 1.9819 -3 1 11 2
45.99 1.71 1.9735 -7 1 1 2
46.05 1.21 1.9710 2 2 10 2
46.05 1.18 1.9710 2 4 0 2
46.06 1.77 1.9705 -2 0 12 1
46.52 5.06 1.9520 5 1 8 2
46.70 3.85 1.9450 -4 2 9 2
46.73 1.68 1.9441 4 0 10 1
46.76 1.82 1.9427 0 4 4 2
46.80 1.34 1.9410 -7 1 3 2
46.83 1.45 1.9401 2 4 2 2
47.03 1.20 1.9321 5 3 2 2
47.19 2.46 1.9261 3 3 7 2
47.29 1.74 1.9223 -6 0 8 1
47.57 4.00 1.9116 6 2 4 2
47.66 1.83 1.9080 2 0 12 1
47.68 1.51 1.9073 -7 1 4 2
47.94 1.25 1.8976 -5 3 4 2
47.98 1.23 1.8960 3 1 11 2
48.18 1.36 1.8886 0 4 5 2
48.18 2.22 1.8886 1 3 9 2
48.19 1.91 1.8883 7 1 3 2
48.33 2.68 1.8834 -2 4 4 2
48.73 3.98 1.8685 -6 2 6 2
48.85 1.09 1.8645 2 4 4 2
49.06 7.75 1.8568 4 2 9 2
49.18 2.11 1.8528 -5 3 5 2
49.22 7.42 1.8511 -5 1 10 2
49.24 1.33 1.8506 5 3 4 2
50.33 3.81 1.8130 -1 1 13 2
50.39 2.73 1.8109 6 0 8 1
50.49 2.40 1.8075 -1 3 10 2
50.58 4.70 1.8044 -3 3 9 2
50.76 1.62 1.7985 5 3 5 2
51.12 3.07 1.7868 1 3 10 2
51.15 2.15 1.7860 1 1 13 2
51.44 2.51 1.7765 4 4 0 2
51.44 4.56 1.7763 -2 2 12 2
51.55 1.66 1.7730 -8 0 2 1
51.99 3.53 1.7588 2 4 6 2
52.04 2.56 1.7572 -7 1 7 2
52.06 2.19 1.7568 4 2 10 2
52.23 1.76 1.7515 -5 1 11 2
52.27 3.28 1.7503 3 3 9 2
52.28 2.89 1.7499 4 4 2 2
52.37 7.12 1.7472 5 1 10 2
52.39 1.67 1.7463 -6 0 10 1
52.55 1.07 1.7414 5 3 6 2
52.56 8.73 1.7411 -4 2 11 2
52.57 2.27 1.7407 -6 2 8 2
52.82 2.27 1.7331 -8 0 4 1
53.02 1.15 1.7271 0 0 14 1
53.56 5.78 1.7109 -1 3 11 2
53.66 3.26 1.7082 4 0 12 1
54.02 2.41 1.6974 0 4 8 2
54.14 1.64 1.6940 0 2 13 2
54.23 2.12 1.6915 1 3 11 2
54.26 1.32 1.6905 4 4 4 2
54.59 3.14 1.6812 5 3 7 2
55.01 2.61 1.6693 7 1 7 2
55.20 2.76 1.6640 -2 4 8 2
55.21 2.23 1.6636 4 2 11 2
55.40 2.33 1.6585 -5 1 12 2
55.46 1.04 1.6567 6 2 8 2
55.54 4.46 1.6545 5 1 11 2
55.75 3.81 1.6489 -4 2 12 2
55.92 1.67 1.6443 -4 4 6 2
56.00 2.50 1.6422 6 0 10 1
56.14 1.45 1.6382 2 4 8 2
56.21 4.68 1.6365 -3 3 11 2
56.22 1.59 1.6361 -7 1 9 2
56.44 1.45 1.6304 1 5 0 2
56.60 1.89 1.6261 -7 3 2 2
56.72 1.78 1.6229 -3 1 14 2
56.74 1.09 1.6223 -5 3 9 2
56.80 6.40 1.6209 -1 3 12 2
56.83 2.04 1.6202 8 2 1 2
56.94 1.52 1.6172 -1 5 2 2
57.09 2.06 1.6132 -7 3 3 2
57.47 2.43 1.6034 8 2 2 2
57.49 3.85 1.6029 1 3 12 2
57.60 2.70 1.6002 -1 5 3 2
57.86 1.31 1.5937 -7 3 4 2
57.92 1.28 1.5922 -4 0 14 1
58.02 4.33 1.5897 8 0 6 1
58.12 3.28 1.5871 3 3 11 2
58.27 1.58 1.5834 -6 0 12 1
58.30 1.37 1.5826 7 3 3 2
58.39 1.16 1.5804 8 2 3 2
58.53 14.67 1.5770 4 2 12 2
58.53 1.51 1.5769 -1 5 4 2
58.72 3.29 1.5724 -2 2 14 2
58.72 14.65 1.5723 -5 1 13 2
58.76 1.27 1.5713 1 5 4 2
58.87 2.65 1.5686 5 1 12 2
58.89 1.86 1.5683 -7 3 5 2
59.05 1.57 1.5643 0 4 10 2
59.09 1.93 1.5634 -4 2 13 2
59.13 1.64 1.5623 3 1 14 2
59.16 1.57 1.5617 1 1 15 2
59.52 24.42 1.5532 -9 1 1 2
59.55 6.25 1.5525 -4 4 8 2
59.57 3.21 1.5519 8 2 4 2
59.59 5.48 1.5514 -6 4 1 2
59.62 7.44 1.5507 3 5 0 2
59.63 17.76 1.5506 6 4 0 2
59.64 3.14 1.5504 9 1 0 2
59.67 2.60 1.5496 -9 1 2 2
59.67 13.71 1.5496 -3 5 1 2
59.73 2.93 1.5482 -1 5 5 2
59.83 4.31 1.5459 -6 4 2 2
59.84 5.43 1.5456 3 5 1 2
59.93 1.81 1.5435 6 4 1 2
59.99 2.14 1.5421 -3 5 2 2
60.01 2.83 1.5416 1 5 5 2
60.01 3.95 1.5415 -8 2 6 2
60.02 1.03 1.5413 9 1 1 2
60.19 2.36 1.5375 -1 3 13 2
60.30 1.76 1.5349 2 2 14 2
60.33 1.15 1.5342 -6 4 3 2
60.58 1.82 1.5285 -3 5 3 2
60.75 1.49 1.5246 6 2 10 2
60.77 1.32 1.5240 -9 1 4 2
60.86 2.59 1.5221 7 3 5 2
60.91 8.84 1.5209 1 3 13 2
61.08 1.45 1.5172 3 5 3 2
61.10 1.59 1.5167 -6 4 4 2
61.17 1.12 1.5151 -1 5 6 2
61.33 1.76 1.5114 6 4 3 2
61.34 1.43 1.5114 4 4 8 2
61.35 2.50 1.5112 0 0 16 1
61.43 1.08 1.5094 -3 5 4 2
61.51 2.08 1.5077 1 5 6 2
61.72 3.88 1.5030 -7 3 7 2
62.36 3.27 1.4891 5 1 13 2
62.58 3.07 1.4843 -4 2 14 2
62.68 2.61 1.4823 8 2 6 2
62.86 1.52 1.4784 -1 5 7 2
63.28 2.06 1.4697 -8 2 8 2
63.35 1.05 1.4681 3 5 5 2
64.37 1.50 1.4474 -9 1 7 2
64.39 2.64 1.4469 7 3 7 2
64.48 1.13 1.4451 1 3 14 2
64.92 1.11 1.4363 -6 4 7 2
66.66 1.85 1.4030 -1 1 17 2
67.56 1.53 1.3865 1 1 17 2
67.79 1.12 1.3824 -5 3 13 2
67.96 1.65 1.3793 -9 1 9 2
68.17 2.09 1.3755 2 2 16 2
68.20 3.84 1.3751 1 3 15 2
68.53 1.97 1.3693 -9 3 1 2
69.20 1.33 1.3576 6 4 8 2
69.37 2.54 1.3546 4 2 15 2
69.59 2.07 1.3509 -5 1 16 2
70.01 1.10 1.3439 -4 2 16 2
70.06 1.19 1.3430 -10 2 2 2
70.07 1.04 1.3428 8 4 0 2
70.61 1.25 1.3339 0 6 4 2
70.86 1.36 1.3298 -6 4 10 2
70.98 1.03 1.3279 8 4 2 2
71.03 1.39 1.3271 -10 2 4 2
71.55 1.28 1.3187 9 3 4 2
71.70 1.17 1.3163 -9 3 6 2
72.16 2.24 1.3091 9 1 9 2
72.45 1.93 1.3045 -9 1 11 2
72.72 1.49 1.3003 5 5 7 2
73.29 1.67 1.2916 4 2 16 2
73.39 1.36 1.2902 2 6 5 2
73.52 1.39 1.2882 -5 1 17 2
73.93 1.70 1.2820 6 4 10 2
74.11 1.79 1.2793 -3 5 11 2
74.79 1.11 1.2695 -2 2 18 2
75.91 1.12 1.2534 -6 4 12 2
76.64 1.21 1.2433 4 6 4 2
77.44 1.07 1.2324 8 4 7 2
77.60 1.01 1.2303 -1 5 13 2
77.63 1.02 1.2299 -10 2 9 2
78.25 1.51 1.2218 1 5 13 2
78.36 1.66 1.2202 -8 2 14 2
79.24 3.86 1.2090 0 0 20 1
80.19 1.07 1.1970 7 3 13 2
83.49 1.10 1.1578 -10 4 4 2
85.45 1.24 1.1362 10 4 4 2
85.97 1.29 1.1307 5 3 17 2
86.65 1.77 1.1236 -2 6 12 2
87.76 1.08 1.1122 -12 2 6 2
87.82 1.37 1.1116 2 6 12 2
89.59 1.10 1.0942 8 4 12 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.