Mandarinoite
Hawthorne F C
The Canadian Mineralogist 22 (1984) 475-480
The crystal structure of mandarinoite, Fe2Se3O9.6H2O
_database_code_amcsd 0005198
CELL PARAMETERS: 16.8100 7.8800 10.0190 90.000 98.260 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1313.377
Density (g/cm3): 3.032
MAX. ABS. INTENSITY / VOLUME**2: 28.33425156
RIR: 3.043
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
5.31 2.07 16.6356 1 0 0 2
10.64 38.59 8.3178 2 0 0 2
12.43 100.00 7.1215 1 1 0 4
14.36 9.26 6.1690 0 1 1 4
15.76 1.08 5.6226 1 1 1 4
17.11 2.57 5.1815 -2 1 1 4
17.89 4.99 4.9575 0 0 2 2
18.66 4.51 4.7557 2 1 1 4
19.40 1.74 4.5746 1 0 2 2
19.58 9.04 4.5349 3 1 0 4
20.56 1.55 4.3205 -3 1 1 4
21.20 4.54 4.1914 -1 1 2 4
21.36 5.83 4.1589 4 0 0 2
22.57 2.69 3.9400 0 2 0 2
24.31 3.66 3.6615 0 2 1 4
24.72 2.79 3.6009 -4 1 1 4
25.01 12.79 3.5610 -3 1 2 4
25.01 28.01 3.5607 2 2 0 4
25.77 4.58 3.4573 3 0 2 2
25.91 22.21 3.4387 -4 0 2 2
26.06 5.96 3.4187 -2 2 1 4
26.80 1.81 3.3271 5 0 0 2
26.90 5.48 3.3139 4 1 1 4
27.12 4.59 3.2875 2 2 1 4
28.19 5.35 3.1660 3 1 2 4
28.95 4.23 3.0845 0 2 2 4
28.97 1.70 3.0826 -1 2 2 4
29.13 3.79 3.0651 5 1 0 4
29.30 10.53 3.0478 0 1 3 4
29.34 3.22 3.0443 -5 1 1 4
29.86 8.58 2.9927 -2 1 3 4
29.96 13.15 2.9822 4 0 2 2
29.98 29.75 2.9802 -2 2 2 4
31.27 4.04 2.8603 4 2 0 4
31.68 2.01 2.8248 5 1 1 4
31.83 13.02 2.8113 2 2 2 4
31.91 6.49 2.8041 -3 2 2 4
32.09 8.61 2.7892 4 1 2 4
32.24 1.01 2.7766 -5 1 2 4
32.60 7.65 2.7466 2 1 3 4
34.09 4.59 2.6301 -4 1 3 4
34.29 1.06 2.6154 6 1 0 4
34.51 5.76 2.5987 3 2 2 4
34.56 5.71 2.5955 5 0 2 2
35.31 2.94 2.5420 5 2 0 4
36.30 1.43 2.4748 -2 0 4 2
36.61 6.79 2.4546 -6 1 2 4
37.44 1.78 2.4019 1 0 4 2
37.68 1.90 2.3870 -1 1 4 4
39.39 5.51 2.2873 -7 1 1 4
39.39 1.80 2.2873 2 0 4 2
39.60 1.59 2.2756 -2 3 2 4
39.63 1.51 2.2741 -7 0 2 2
39.72 2.71 2.2691 -6 2 1 4
39.75 5.18 2.2674 6 2 0 4
40.77 2.55 2.2131 3 2 3 4
41.14 7.13 2.1942 -3 3 2 4
41.90 2.32 2.1560 6 2 1 4
41.94 2.89 2.1540 7 1 1 4
42.22 1.98 2.1405 -5 0 4 2
43.17 1.01 2.0957 -2 2 4 4
43.26 2.12 2.0915 3 3 2 4
43.62 1.07 2.0749 3 1 4 4
44.04 4.92 2.0563 0 3 3 4
44.16 3.97 2.0509 1 2 4 4
44.43 4.67 2.0392 -2 3 3 4
44.52 1.49 2.0350 7 2 0 4
44.59 1.59 2.0322 7 0 2 2
45.74 1.23 1.9836 5 3 1 4
46.07 5.51 1.9700 0 4 0 2
46.13 1.22 1.9678 7 1 2 4
46.96 1.71 1.9348 -6 1 4 4
46.99 2.22 1.9337 -2 1 5 4
47.27 1.35 1.9231 0 1 5 4
49.36 1.41 1.8462 -4 1 5 4
49.49 1.37 1.8417 -6 3 2 4
50.16 1.28 1.8188 2 1 5 4
50.25 2.29 1.8158 -9 1 1 4
51.29 1.59 1.7812 4 3 3 4
51.31 1.06 1.7805 -6 2 4 4
51.65 1.05 1.7697 -3 3 4 4
51.88 3.51 1.7623 7 3 0 4
52.80 1.71 1.7339 4 4 1 4
52.97 1.84 1.7287 9 1 1 4
53.02 1.09 1.7272 -6 3 3 4
53.09 1.56 1.7250 2 3 4 4
53.23 1.15 1.7210 -4 3 4 4
53.62 2.70 1.7094 -4 4 2 4
54.33 1.76 1.6885 6 1 4 4
54.73 2.12 1.6773 -7 2 4 4
55.50 2.64 1.6558 9 0 2 2
55.94 1.37 1.6437 4 4 2 4
58.04 1.31 1.5892 -6 3 4 4
58.30 1.92 1.5826 0 3 5 4
59.98 1.58 1.5423 -5 1 6 4
60.28 1.06 1.5354 -2 2 6 4
60.78 3.89 1.5239 0 2 6 4
60.81 1.41 1.5232 1 4 4 4
60.87 1.13 1.5218 -3 2 6 4
60.89 1.38 1.5214 -3 4 4 4
61.01 1.07 1.5187 -6 0 6 2
61.85 1.13 1.5002 -11 1 1 4
62.02 1.31 1.4963 -4 2 6 4
62.36 1.59 1.4890 -7 4 2 4
62.51 1.19 1.4858 10 1 2 4
62.51 5.21 1.4858 7 2 4 4
62.83 3.77 1.4790 -9 2 4 4
63.85 1.28 1.4578 -10 1 4 4
64.54 1.50 1.4440 6 3 4 4
67.18 1.82 1.3934 4 5 2 4
69.68 1.10 1.3494 -5 3 6 4
69.92 1.50 1.3454 -6 5 2 4
70.85 1.67 1.3299 0 5 4 4
71.95 2.03 1.3123 11 2 2 4
74.92 1.15 1.2675 9 4 2 4
75.99 1.32 1.2524 -2 0 8 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.