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: synthetic
_database_code_amcsd 0014034
CELL PARAMETERS: 5.4054 5.5934 7.7672 90.000 89.810 90.000
SPACE GROUP: P2_1/n
X-RAY WAVELENGTH: 1.541838
Cell Volume: 234.837
Density (g/cm3): 2.969
MAX. ABS. INTENSITY / VOLUME**2: 4.144619819
RIR: 0.455
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
19.56 41.33 4.5389 0 1 1 4
19.98 9.94 4.4436 1 0 1 2
20.04 26.23 4.4298 -1 0 1 2
22.88 49.17 3.8869 1 1 0 4
22.90 18.97 3.8836 0 0 2 2
25.60 8.18 3.4793 1 1 1 4
25.65 6.04 3.4727 -1 1 1 4
32.00 33.97 2.7967 0 2 0 2
32.55 77.07 2.7506 1 1 2 4
32.63 65.20 2.7440 -1 1 2 4
33.15 22.54 2.7027 2 0 0 2
36.16 8.11 2.4839 1 2 0 4
36.94 33.28 2.4335 2 1 0 4
38.02 9.06 2.3669 1 2 1 4
38.05 20.51 2.3648 -1 2 1 4
38.31 1.44 2.3496 0 1 3 4
38.50 39.88 2.3380 1 0 3 2
38.61 22.85 2.3320 -1 0 3 2
38.74 14.84 2.3242 2 1 1 4
38.81 31.40 2.3202 -2 1 1 4
39.72 37.26 2.2695 0 2 2 4
40.60 11.87 2.2218 2 0 2 2
40.74 8.92 2.2149 -2 0 2 2
41.88 7.72 2.1572 1 1 3 4
41.97 26.06 2.1524 -1 1 3 4
43.20 19.85 2.0940 1 2 2 4
43.27 9.53 2.0911 -1 2 2 4
43.84 5.85 2.0649 2 1 2 4
43.97 2.96 2.0593 -2 1 2 4
46.74 100.00 1.9435 2 2 0 4
46.78 51.12 1.9418 0 0 4 2
47.88 9.84 1.8999 0 2 3 4
48.24 6.59 1.8864 2 2 1 4
48.30 3.94 1.8843 -2 2 1 4
50.91 1.32 1.7938 1 2 3 4
50.99 8.98 1.7911 -1 2 3 4
51.46 6.44 1.7758 2 1 3 4
51.87 12.87 1.7626 1 3 0 4
52.15 4.46 1.7539 -3 0 1 2
52.61 15.93 1.7397 2 2 2 4
52.75 9.64 1.7354 -1 1 4 4
53.28 23.15 1.7193 1 3 1 4
53.31 7.98 1.7185 -1 3 1 4
54.60 2.73 1.6808 0 3 2 4
54.86 10.57 1.6736 -3 1 1 4
57.39 17.84 1.6057 1 3 2 4
57.44 6.83 1.6043 -1 3 2 4
57.81 25.40 1.5950 0 2 4 4
58.43 2.28 1.5795 2 0 4 2
58.63 21.77 1.5745 -2 0 4 2
58.79 40.81 1.5707 3 1 2 4
58.94 19.72 1.5670 -3 1 2 4
61.19 4.58 1.5147 3 2 0 4
61.27 1.46 1.5130 0 3 3 4
61.57 4.57 1.5061 2 3 1 4
62.00 2.65 1.4968 0 1 5 4
62.12 1.26 1.4943 1 0 5 2
62.24 4.49 1.4917 -1 0 5 2
62.43 2.43 1.4874 3 2 1 4
63.93 4.45 1.4563 -1 3 3 4
65.34 1.49 1.4282 2 3 2 4
65.36 2.93 1.4277 -3 1 3 4
65.43 2.75 1.4264 -2 3 2 4
66.91 6.68 1.3984 0 4 0 2
68.14 1.01 1.3762 0 4 1 4
68.19 12.79 1.3753 2 2 4 4
68.37 11.22 1.3720 -2 2 4 4
69.42 5.50 1.3538 1 4 0 4
69.57 2.99 1.3513 4 0 0 2
71.52 3.49 1.3191 -2 3 3 4
71.60 6.68 1.3180 1 2 5 4
71.74 1.55 1.3157 0 4 2 4
71.87 2.06 1.3136 4 1 0 4
72.03 1.93 1.3112 2 1 5 4
72.37 2.53 1.3058 1 3 4 4
72.37 1.87 1.3058 -3 2 3 4
72.46 1.15 1.3044 -1 3 4 4
73.01 1.48 1.2958 4 1 1 4
74.23 1.85 1.2776 4 0 2 2
76.48 2.44 1.2455 4 1 2 4
76.74 2.92 1.2420 2 4 0 4
77.63 2.07 1.2299 3 3 2 4
77.69 6.03 1.2291 1 1 6 4
77.76 3.50 1.2282 -3 3 2 4
77.82 4.40 1.2273 -1 1 6 4
78.63 2.56 1.2167 4 2 0 4
78.78 3.25 1.2149 2 2 5 4
79.82 1.03 1.2015 -4 2 1 4
81.38 1.44 1.1824 -2 4 2 4
82.44 2.39 1.1699 -4 1 3 4
82.88 3.94 1.1648 -1 3 5 4
83.29 1.36 1.1601 -4 2 2 4
83.52 2.92 1.1576 -3 3 3 4
83.91 1.05 1.1531 3 1 5 4
84.23 2.07 1.1495 -3 1 5 4
85.59 2.39 1.1347 0 4 4 4
86.95 2.89 1.1205 2 4 3 4
87.88 1.11 1.1110 1 4 4 4
87.89 1.41 1.1109 4 0 4 2
88.23 1.56 1.1075 -4 0 4 2
88.74 1.47 1.1025 4 2 3 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.