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 = 860 K
_database_code_amcsd 0007747
CELL PARAMETERS: 5.5659 5.6420 7.9322 90.000 89.989 90.000
SPACE GROUP: P2_1/n
X-RAY WAVELENGTH: 1.541838
Cell Volume: 249.093
Density (g/cm3): 2.799
MAX. ABS. INTENSITY / VOLUME**2: 4.029410734
RIR: 0.469
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
19.31 41.90 4.5976 0 1 1 4
19.48 21.66 4.5566 1 0 1 2
19.48 15.80 4.5557 -1 0 1 2
22.42 25.56 3.9661 0 0 2 2
22.44 56.70 3.9623 1 1 0 4
25.12 1.42 3.5449 1 1 1 4
25.12 2.70 3.5445 -1 1 1 4
31.72 31.69 2.8210 0 2 0 2
31.92 47.81 2.8033 1 1 2 4
31.93 52.19 2.8029 -1 1 2 4
32.16 22.27 2.7829 2 0 0 2
35.68 4.51 2.5163 1 2 0 4
35.98 10.82 2.4958 2 1 0 4
37.50 5.00 2.3985 1 2 1 4
37.50 4.35 2.3984 -1 2 1 4
37.66 8.95 2.3885 1 0 3 2
37.67 10.63 2.3881 -1 0 3 2
37.79 7.68 2.3809 2 1 1 4
37.79 5.98 2.3807 -2 1 1 4
39.19 14.07 2.2988 0 2 2 4
39.56 3.94 2.2783 2 0 2 2
39.56 4.09 2.2779 -2 0 2 2
41.04 4.57 2.1995 1 1 3 4
41.04 1.37 2.1992 -1 1 3 4
42.55 2.50 2.1248 1 2 2 4
42.55 4.82 2.1246 -1 2 2 4
42.81 1.01 2.1125 2 1 2 4
42.81 1.80 2.1122 -2 1 2 4
45.75 25.64 1.9830 0 0 4 2
45.80 48.49 1.9812 2 2 0 4
47.11 1.17 1.9292 0 2 3 4
50.04 1.14 1.8229 1 2 3 4
50.28 1.20 1.8148 -2 1 3 4
50.52 1.08 1.8066 3 0 1 2
51.28 4.60 1.7817 1 3 0 4
51.53 4.97 1.7735 1 1 4 4
51.57 4.91 1.7722 -2 2 2 4
51.88 1.29 1.7625 3 1 0 4
52.65 2.86 1.7384 -1 3 1 4
53.24 1.58 1.7206 3 1 1 4
56.63 3.13 1.6253 1 3 2 4
56.63 6.24 1.6252 -1 3 2 4
56.74 6.94 1.6223 0 2 4 4
57.02 5.32 1.6151 2 0 4 2
57.03 1.15 1.6148 -2 0 4 2
57.19 5.14 1.6107 3 1 2 4
57.20 9.69 1.6105 -3 1 2 4
60.56 1.61 1.5290 -2 3 1 4
60.70 1.14 1.5258 1 0 5 2
60.90 1.14 1.5213 -3 2 1 4
66.26 1.96 1.4105 0 4 0 2
66.73 3.52 1.4017 2 2 4 4
66.75 3.28 1.4015 -2 2 4 4
67.29 1.16 1.3915 4 0 0 2
75.58 1.04 1.2581 2 4 0 4
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.