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 = 800 K
_database_code_amcsd 0007744
CELL PARAMETERS: 5.5395 5.6378 7.9085 90.000 90.011 90.000
SPACE GROUP: P2_1/n
X-RAY WAVELENGTH: 1.541838
Cell Volume: 246.987
Density (g/cm3): 2.823
MAX. ABS. INTENSITY / VOLUME**2: 4.225374503
RIR: 0.487
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
19.33 40.64 4.5907 0 1 1 4
19.56 14.69 4.5376 -1 0 1 2
19.57 20.84 4.5368 1 0 1 2
22.48 23.58 3.9543 0 0 2 2
22.50 52.86 3.9513 1 1 0 4
25.19 3.45 3.5349 -1 1 1 4
25.20 1.97 3.5345 1 1 1 4
31.74 30.80 2.8189 0 2 0 2
32.02 52.08 2.7952 -1 1 2 4
32.02 47.92 2.7948 1 1 2 4
32.32 20.48 2.7698 2 0 0 2
35.74 4.90 2.5123 1 2 0 4
36.13 12.78 2.4859 2 1 0 4
37.56 4.87 2.3945 -1 2 1 4
37.56 6.19 2.3943 1 2 1 4
37.79 13.32 2.3806 -1 0 3 2
37.80 10.16 2.3802 1 0 3 2
37.94 6.39 2.3717 -2 1 1 4
37.94 9.99 2.3714 2 1 1 4
39.25 15.55 2.2954 0 2 2 4
39.73 4.63 2.2688 -2 0 2 2
39.74 4.20 2.2684 2 0 2 2
41.16 1.78 2.1931 -1 1 3 4
41.17 6.32 2.1928 1 1 3 4
42.64 6.02 2.1206 -1 2 2 4
42.64 3.25 2.1204 1 2 2 4
42.97 2.04 2.1048 -2 1 2 4
42.98 1.13 2.1044 2 1 2 4
45.90 27.41 1.9771 0 0 4 2
45.94 50.84 1.9757 2 2 0 4
47.21 1.69 1.9254 0 2 3 4
50.16 1.53 1.8186 1 2 3 4
50.46 1.48 1.8088 -2 1 3 4
50.78 1.29 1.7981 3 0 1 2
51.34 5.14 1.7796 1 3 0 4
51.70 5.47 1.7680 1 1 4 4
51.72 5.71 1.7674 -2 2 2 4
52.12 1.08 1.7548 3 1 0 4
52.72 4.16 1.7363 -1 3 1 4
53.49 2.12 1.7130 3 1 1 4
56.72 7.02 1.6229 -1 3 2 4
56.72 3.25 1.6228 1 3 2 4
56.88 7.98 1.6187 0 2 4 4
57.24 1.16 1.6093 -2 0 4 2
57.25 6.12 1.6091 2 0 4 2
57.45 11.55 1.6040 -3 1 2 4
57.46 5.99 1.6038 3 1 2 4
60.69 1.91 1.5259 -2 3 1 4
60.82 1.04 1.5229 0 1 5 4
60.92 1.40 1.5208 1 0 5 2
61.13 1.25 1.5160 -3 2 1 4
66.32 2.19 1.4095 0 4 0 2
66.95 3.79 1.3976 -2 2 4 4
66.96 3.96 1.3974 2 2 4 4
67.65 1.26 1.3849 4 0 0 2
70.33 1.15 1.3386 -1 2 5 4
75.72 1.19 1.2562 2 4 0 4
76.13 1.17 1.2504 -1 1 6 4
76.13 1.02 1.2503 1 1 6 4
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.