Grimselite
Li Y, Burns P C
The Canadian Mineralogist 39 (2001) 1147-1151
The crystal structure of synthetic grimselite, K3Na[(UO2)(CO3)3](H2O)
_database_code_amcsd 0005731
CELL PARAMETERS: 9.3020 9.3020 8.2600 90.000 90.000 120.000
SPACE GROUP: P-62c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 618.961
Density (g/cm3): 3.275
MAX. ABS. INTENSITY / VOLUME**2: 72.50407210
RIR: 7.208
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
10.98 42.03 8.0558 1 0 0 6
15.36 100.00 5.7671 1 0 1 12
19.08 28.15 4.6510 1 1 0 3
21.52 18.12 4.1300 0 0 2 2
22.07 10.38 4.0279 2 0 0 6
24.22 20.33 3.6752 1 0 2 12
24.59 27.29 3.6204 2 0 1 12
28.91 41.48 3.0882 1 1 2 6
29.33 9.39 3.0448 2 1 0 6
31.01 1.98 2.8836 2 0 2 12
31.31 27.94 2.8569 2 1 1 12
33.37 31.23 2.6853 3 0 0 6
34.42 10.46 2.6054 1 0 3 12
36.67 4.57 2.4508 2 1 2 12
38.72 15.05 2.3255 2 2 0 3
39.65 5.89 2.2730 2 0 3 12
40.05 4.01 2.2512 3 0 2 12
40.37 2.51 2.2343 3 1 0 6
41.89 14.53 2.1568 3 1 1 12
43.84 7.92 2.0650 0 0 4 2
44.36 8.22 2.0422 2 1 3 12
44.72 21.05 2.0264 2 2 2 6
45.34 3.64 2.0003 1 0 4 12
46.20 8.45 1.9651 3 1 2 12
46.41 4.37 1.9566 4 0 1 12
48.22 3.27 1.8873 1 1 4 6
49.31 5.23 1.8481 3 2 0 6
49.61 3.11 1.8376 2 0 4 12
50.41 3.69 1.8102 4 0 2 12
50.61 10.22 1.8035 3 2 1 12
52.02 6.38 1.7579 4 1 0 6
52.76 5.74 1.7349 3 1 3 12
53.63 4.34 1.7090 2 1 4 12
54.39 1.94 1.6869 3 2 2 12
56.19 8.34 1.6369 3 0 4 12
56.62 1.90 1.6255 4 0 3 12
56.90 3.18 1.6183 1 0 5 12
56.93 7.81 1.6175 4 1 2 12
58.35 2.00 1.5814 5 0 1 12
59.64 3.42 1.5503 3 3 0 3
59.90 4.90 1.5441 2 2 4 6
60.32 4.72 1.5345 3 2 3 12
60.58 2.26 1.5284 2 0 5 12
61.11 2.00 1.5165 3 1 4 12
61.98 3.39 1.4972 4 2 1 12
64.14 3.63 1.4520 2 1 5 12
64.17 1.63 1.4514 3 3 2 6
64.39 1.29 1.4469 5 1 0 6
65.49 2.82 1.4252 5 1 1 12
67.34 1.05 1.3906 5 0 3 12
68.08 3.51 1.3771 3 2 4 12
70.09 2.14 1.3426 6 0 0 6
70.33 3.36 1.3386 4 1 4 12
70.71 1.87 1.3323 4 2 3 12
70.95 2.87 1.3283 3 1 5 12
71.47 2.34 1.3201 1 1 6 6
72.25 2.10 1.3077 4 3 1 12
73.40 1.89 1.2900 5 2 0 6
74.01 1.62 1.2808 5 1 3 12
74.25 1.08 1.2773 4 0 5 12
74.28 1.65 1.2769 6 0 2 12
75.37 1.76 1.2611 4 3 2 12
76.90 2.20 1.2398 3 3 4 6
77.50 2.51 1.2317 3 2 5 12
77.53 3.18 1.2313 5 2 2 12
78.76 2.07 1.2151 6 1 1 12
80.47 1.31 1.1935 4 3 3 12
81.17 1.30 1.1849 5 1 4 12
81.20 2.37 1.1846 2 2 6 6
81.79 1.23 1.1775 6 1 2 12
82.26 1.10 1.1720 3 1 6 12
85.12 1.03 1.1398 7 0 1 12
86.45 1.74 1.1256 6 0 4 12
86.81 1.38 1.1219 6 1 3 12
87.04 1.32 1.1195 4 2 5 12
89.60 1.67 1.0940 5 2 4 12
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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.