Cryolite
Yang H, Ghose S, Hatch D M
Physics and Chemistry of Minerals 19 (1993) 528-544
Ferroelastic phase transition in cryolite, Na3AlF6, a mixed
fluoride perovskite: high temperature single crystal X-ray
diffraction study and symmetry analysis of the transition mechanism
Sample: T = 573 K
_database_code_amcsd 0007742
CELL PARAMETERS: 5.4766 5.6227 7.8461 90.000 90.089 90.000
SPACE GROUP: P2_1/n
X-RAY WAVELENGTH: 1.541838
Cell Volume: 241.607
Density (g/cm3): 2.885
MAX. ABS. INTENSITY / VOLUME**2: 4.343955158
RIR: 0.490
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
19.42 41.53 4.5703 0 1 1 4
19.75 13.15 4.4941 -1 0 1 2
19.78 22.04 4.4875 1 0 1 2
22.67 49.62 3.9232 1 1 0 4
22.67 20.40 3.9230 0 0 2 2
25.37 6.01 3.5105 -1 1 1 4
25.39 4.04 3.5074 1 1 1 4
31.83 31.66 2.8114 0 2 0 2
32.25 59.78 2.7756 -1 1 2 4
32.29 53.53 2.7725 1 1 2 4
32.70 21.47 2.7383 2 0 0 2
35.91 5.77 2.5011 1 2 0 4
36.50 20.16 2.4619 2 1 0 4
37.74 6.14 2.3834 -1 2 1 4
37.76 10.76 2.3824 1 2 1 4
38.11 21.38 2.3615 -1 0 3 2
38.16 14.84 2.3586 1 0 3 2
38.30 9.09 2.3499 -2 1 1 4
38.33 16.58 2.3480 2 1 1 4
39.43 20.80 2.2852 0 2 2 4
40.13 6.47 2.2470 -2 0 2 2
40.19 5.20 2.2438 2 0 2 2
41.47 3.74 2.1773 -1 1 3 4
41.52 13.10 2.1750 1 1 3 4
42.87 10.91 2.1096 -1 2 2 4
42.90 5.28 2.1083 1 2 2 4
43.37 3.05 2.0866 -2 1 2 4
43.42 1.46 2.0840 2 1 2 4
46.28 64.64 1.9616 2 2 0 4
46.29 35.36 1.9615 0 0 4 2
47.48 3.81 1.9149 0 2 3 4
47.78 2.58 1.9035 -2 2 1 4
47.81 1.36 1.9025 2 2 1 4
50.51 3.05 1.8069 1 2 3 4
50.90 2.85 1.7939 -2 1 3 4
51.41 2.23 1.7774 3 0 1 2
51.54 7.74 1.7733 1 3 0 4
52.11 8.89 1.7553 -2 2 2 4
52.16 7.32 1.7537 1 1 4 4
52.93 9.99 1.7298 -1 3 1 4
52.94 3.02 1.7295 1 3 1 4
54.11 4.50 1.6948 3 1 1 4
54.24 1.12 1.6911 0 3 2 4
56.98 10.52 1.6162 -1 3 2 4
57.00 4.48 1.6156 1 3 2 4
57.27 13.26 1.6087 0 2 4 4
57.78 1.52 1.5958 -2 0 4 2
57.87 10.76 1.5934 2 0 4 2
58.06 20.23 1.5886 -3 1 2 4
58.13 10.07 1.5869 3 1 2 4
60.47 1.76 1.5311 3 2 0 4
61.06 2.85 1.5177 -2 3 1 4
61.33 1.69 1.5115 0 1 5 4
61.49 2.23 1.5079 1 0 5 2
61.71 1.81 1.5031 -3 2 1 4
63.39 1.67 1.4674 1 3 3 4
66.52 3.35 1.4057 0 4 0 2
67.49 6.35 1.3878 -2 2 4 4
67.58 6.22 1.3863 2 2 4 4
68.54 1.77 1.3691 4 0 0 2
68.97 1.37 1.3615 1 4 0 4
70.80 1.33 1.3308 2 3 3 4
70.87 2.44 1.3297 -1 2 5 4
71.43 1.05 1.3206 3 2 3 4
71.74 1.54 1.3158 -1 3 4 4
73.18 1.02 1.2933 -4 0 2 2
76.12 1.90 1.2505 2 4 0 4
76.81 1.40 1.2410 -3 3 2 4
76.81 2.38 1.2410 -1 1 6 4
76.87 1.80 1.2402 3 3 2 4
76.87 1.90 1.2402 1 1 6 4
77.55 1.34 1.2309 4 2 0 4
84.86 1.20 1.1426 0 4 4 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.