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 = 840 K
_database_code_amcsd 0007746
CELL PARAMETERS: 5.5558 5.6437 7.9263 90.000 90.001 90.000
SPACE GROUP: P2_1/n
X-RAY WAVELENGTH: 1.541838
Cell Volume: 248.531
Density (g/cm3): 2.805
MAX. ABS. INTENSITY / VOLUME**2: 4.071085717
RIR: 0.473
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
19.31 41.26 4.5974 0 1 1 4
19.51 15.88 4.5495 -1 0 1 2
19.51 21.66 4.5495 1 0 1 2
22.43 25.33 3.9632 0 0 2 2
22.46 55.85 3.9593 1 1 0 4
25.14 2.96 3.5420 -1 1 1 4
25.14 1.58 3.5419 1 1 1 4
31.71 31.39 2.8219 0 2 0 2
31.95 51.96 2.8010 -1 1 2 4
31.95 48.04 2.8010 1 1 2 4
32.22 21.37 2.7779 2 0 0 2
35.69 4.74 2.5159 1 2 0 4
36.04 11.46 2.4923 2 1 0 4
37.50 4.58 2.3980 -1 2 1 4
37.51 5.38 2.3980 1 2 1 4
37.70 11.58 2.3861 -1 0 3 2
37.70 9.42 2.3860 1 0 3 2
37.84 6.10 2.3776 -2 1 1 4
37.84 8.70 2.3776 2 1 1 4
39.19 14.90 2.2987 0 2 2 4
39.62 4.40 2.2748 -2 0 2 2
39.62 4.04 2.2747 2 0 2 2
41.07 1.51 2.1977 -1 1 3 4
41.07 5.13 2.1977 1 1 3 4
42.56 5.20 2.1241 -1 2 2 4
42.56 2.86 2.1241 1 2 2 4
42.86 1.93 2.1098 -2 1 2 4
42.86 1.09 2.1098 2 1 2 4
45.79 26.67 1.9816 0 0 4 2
45.84 49.45 1.9796 2 2 0 4
47.12 1.36 1.9287 0 2 3 4
50.06 1.29 1.8220 1 2 3 4
50.33 1.27 1.8130 -2 1 3 4
50.62 1.13 1.8034 3 0 1 2
51.27 4.83 1.7819 1 3 0 4
51.58 5.21 1.7720 1 1 4 4
51.61 5.24 1.7710 -2 2 2 4
51.97 1.22 1.7596 3 1 0 4
52.65 3.30 1.7385 -1 3 1 4
53.33 1.78 1.7178 3 1 1 4
56.64 6.49 1.6252 -1 3 2 4
56.64 3.13 1.6251 1 3 2 4
56.77 7.24 1.6217 0 2 4 4
57.09 1.13 1.6132 -2 0 4 2
57.09 5.52 1.6132 2 0 4 2
57.29 10.26 1.6082 -3 1 2 4
57.29 5.41 1.6082 3 1 2 4
60.58 1.77 1.5284 -2 3 1 4
60.76 1.28 1.5244 1 0 5 2
60.97 1.21 1.5196 -3 2 1 4
66.24 2.05 1.4109 0 4 0 2
66.80 3.50 1.4005 -2 2 4 4
66.80 3.66 1.4005 2 2 4 4
67.43 1.19 1.3889 4 0 0 2
75.59 1.09 1.2580 2 4 0 4
75.93 1.04 1.2531 -1 1 6 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.