Cryolite
Ross K C, Mitchell R H, Chakhmouradian A R
Journal of Solid State Chemistry 172 (2003) 95-101
The crystal structure of synthetic simmonsite, Na2LiAlF6
Locality: natural
_database_code_amcsd 0014033
CELL PARAMETERS: 5.4058 5.5926 7.7699 90.000 90.195 90.000
SPACE GROUP: P2_1/n
X-RAY WAVELENGTH: 1.541838
Cell Volume: 234.902
Density (g/cm3): 2.968
MAX. ABS. INTENSITY / VOLUME**2: 4.279208253
RIR: 0.469
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
19.56 43.69 4.5391 0 1 1 4
19.98 11.51 4.4445 -1 0 1 2
20.04 20.11 4.4304 1 0 1 2
22.88 50.18 3.8868 1 1 0 4
22.89 21.27 3.8849 0 0 2 2
25.60 7.98 3.4796 -1 1 1 4
25.65 7.32 3.4727 1 1 1 4
32.01 35.52 2.7963 0 2 0 2
32.55 76.42 2.7511 -1 1 2 4
32.63 65.63 2.7444 1 1 2 4
33.14 21.33 2.7029 2 0 0 2
36.17 7.30 2.4837 1 2 0 4
36.94 30.65 2.4336 2 1 0 4
38.02 9.16 2.3668 -1 2 1 4
38.05 17.80 2.3647 1 2 1 4
38.49 35.71 2.3388 -1 0 3 2
38.60 21.48 2.3326 1 0 3 2
38.74 13.40 2.3244 -2 1 1 4
38.81 28.88 2.3203 2 1 1 4
39.72 35.25 2.2695 0 2 2 4
40.60 11.37 2.2223 -2 0 2 2
40.73 9.18 2.2152 2 0 2 2
41.87 6.56 2.1577 -1 1 3 4
41.97 23.34 2.1529 1 1 3 4
43.20 18.65 2.0941 -1 2 2 4
43.27 9.89 2.0911 1 2 2 4
43.84 4.35 2.0652 -2 1 2 4
43.96 3.29 2.0595 2 1 2 4
46.74 100.00 1.9434 2 2 0 4
46.77 56.25 1.9425 0 0 4 2
47.87 7.65 1.9001 0 2 3 4
48.24 6.39 1.8864 -2 2 1 4
48.30 3.07 1.8842 2 2 1 4
50.98 6.91 1.7912 1 2 3 4
51.45 6.08 1.7762 -2 1 3 4
51.62 1.07 1.7708 2 1 3 4
51.88 12.51 1.7623 1 3 0 4
52.15 4.26 1.7540 3 0 1 2
52.61 16.11 1.7398 -2 2 2 4
52.73 10.37 1.7359 1 1 4 4
53.29 22.92 1.7191 -1 3 1 4
53.32 6.75 1.7183 1 3 1 4
54.60 2.66 1.6807 0 3 2 4
54.85 8.40 1.6736 3 1 1 4
57.39 18.05 1.6056 -1 3 2 4
57.44 7.39 1.6043 1 3 2 4
57.79 24.57 1.5953 0 2 4 4
58.41 2.29 1.5799 -2 0 4 2
58.62 20.07 1.5748 2 0 4 2
58.78 40.75 1.5709 -3 1 2 4
58.94 21.03 1.5671 3 1 2 4
61.19 4.39 1.5147 3 2 0 4
61.26 1.29 1.5130 0 3 3 4
61.58 5.03 1.5061 -2 3 1 4
61.98 2.91 1.4972 0 1 5 4
62.22 4.47 1.4921 1 0 5 2
62.43 2.81 1.4875 -3 2 1 4
63.93 4.89 1.4563 1 3 3 4
65.34 1.40 1.4282 -2 3 2 4
65.36 2.47 1.4279 3 1 3 4
65.43 2.95 1.4263 2 3 2 4
66.92 6.84 1.3981 0 4 0 2
68.17 13.88 1.3755 -2 2 4 4
68.36 12.65 1.3722 2 2 4 4
69.43 4.65 1.3536 1 4 0 4
69.56 3.48 1.3514 4 0 0 2
71.52 3.53 1.3191 2 3 3 4
71.58 6.67 1.3183 -1 2 5 4
71.75 1.73 1.3155 0 4 2 4
71.87 1.87 1.3136 4 1 0 4
72.00 1.87 1.3115 -2 1 5 4
72.36 3.00 1.3059 -1 3 4 4
72.36 2.36 1.3059 3 2 3 4
72.45 1.54 1.3045 1 3 4 4
73.01 1.50 1.2960 -4 1 1 4
74.22 2.29 1.2778 -4 0 2 2
76.47 2.06 1.2457 -4 1 2 4
76.75 3.40 1.2418 2 4 0 4
77.63 2.84 1.2300 -3 3 2 4
77.66 6.16 1.2295 -1 1 6 4
77.76 3.94 1.2282 3 3 2 4
77.80 4.57 1.2277 1 1 6 4
78.63 2.68 1.2168 4 2 0 4
78.76 2.92 1.2151 -2 2 5 4
79.82 1.04 1.2016 4 2 1 4
81.39 1.64 1.1823 2 4 2 4
82.43 2.44 1.1700 4 1 3 4
82.87 3.54 1.1649 1 3 5 4
83.29 1.63 1.1602 4 2 2 4
83.51 2.38 1.1576 3 3 3 4
84.21 2.09 1.1497 3 1 5 4
85.59 2.87 1.1348 0 4 4 4
86.95 2.48 1.1205 -2 4 3 4
87.87 1.68 1.1111 -4 0 4 2
87.88 1.11 1.1110 -1 4 4 4
88.22 1.65 1.1076 4 0 4 2
88.72 1.46 1.1026 -4 2 3 4
89.47 1.22 1.0953 1 5 0 4
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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.