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 = 673 K
_database_code_amcsd 0007743
CELL PARAMETERS: 5.5022 5.6284 7.8725 90.000 90.055 90.000
SPACE GROUP: P2_1/n
X-RAY WAVELENGTH: 1.541838
Cell Volume: 243.800
Density (g/cm3): 2.859
MAX. ABS. INTENSITY / VOLUME**2: 2.562255717
RIR: 0.292
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
19.39 69.72 4.5786 0 1 1 4
19.68 22.67 4.5119 -1 0 1 2
19.69 36.84 4.5078 1 0 1 2
22.59 36.07 3.9362 0 0 2 2
22.60 85.14 3.9345 1 1 0 4
25.30 8.31 3.5204 -1 1 1 4
25.31 5.60 3.5185 1 1 1 4
31.80 52.29 2.8142 0 2 0 2
32.16 95.37 2.7837 -1 1 2 4
32.18 86.09 2.7818 1 1 2 4
32.55 35.09 2.7511 2 0 0 2
35.84 9.10 2.5055 1 2 0 4
36.35 29.77 2.4716 2 1 0 4
37.67 9.49 2.3878 -1 2 1 4
37.68 15.42 2.3872 1 2 1 4
37.97 31.20 2.3695 -1 0 3 2
38.00 22.30 2.3677 1 0 3 2
38.15 13.82 2.3587 -2 1 1 4
38.17 24.10 2.3576 2 1 1 4
39.36 31.84 2.2893 0 2 2 4
39.96 9.74 2.2560 -2 0 2 2
40.00 8.01 2.2539 2 0 2 2
41.34 5.08 2.1838 -1 1 3 4
41.37 17.69 2.1824 1 1 3 4
42.77 15.34 2.1141 -1 2 2 4
42.79 7.62 2.1132 1 2 2 4
43.20 4.50 2.0940 -2 1 2 4
43.24 2.34 2.0924 2 1 2 4
46.12 54.28 1.9681 0 0 4 2
46.14 100.00 1.9673 2 2 0 4
47.37 4.87 1.9192 0 2 3 4
47.64 3.16 1.9089 -2 2 1 4
47.66 1.59 1.9083 2 2 1 4
50.37 4.25 1.8118 1 2 3 4
50.72 3.97 1.8000 -2 1 3 4
51.15 3.23 1.7859 3 0 1 2
51.46 11.31 1.7757 1 3 0 4
51.95 13.15 1.7602 -2 2 2 4
51.96 11.32 1.7597 1 1 4 4
52.47 1.47 1.7438 3 1 0 4
52.85 12.92 1.7323 -1 3 1 4
52.86 3.53 1.7321 1 3 1 4
53.86 5.98 1.7022 3 1 1 4
54.16 1.48 1.6936 0 3 2 4
56.88 15.41 1.6188 -1 3 2 4
56.89 6.72 1.6185 1 3 2 4
57.11 18.76 1.6128 0 2 4 4
57.55 2.23 1.6014 -2 0 4 2
57.61 15.11 1.6000 2 0 4 2
57.81 28.19 1.5949 -3 1 2 4
57.85 14.10 1.5938 3 1 2 4
60.23 2.29 1.5366 3 2 0 4
60.91 4.21 1.5210 -2 3 1 4
61.12 2.44 1.5163 0 1 5 4
61.25 3.26 1.5134 1 0 5 2
61.48 2.74 1.5083 -3 2 1 4
63.24 1.97 1.4705 1 3 3 4
64.15 1.11 1.4518 3 1 3 4
64.64 1.18 1.4420 2 3 2 4
66.44 4.93 1.4071 0 4 0 2
67.27 8.97 1.3918 -2 2 4 4
67.32 8.87 1.3909 2 2 4 4
68.17 2.59 1.3755 4 0 0 2
68.88 1.60 1.3632 1 4 0 4
70.59 1.76 1.3343 2 3 3 4
70.64 3.24 1.3334 -1 2 5 4
70.94 1.18 1.3285 -2 1 5 4
71.13 1.50 1.3255 3 2 3 4
71.16 1.03 1.3250 0 4 2 4
71.55 2.18 1.3186 -1 3 4 4
71.58 1.28 1.3182 1 3 4 4
71.62 1.22 1.3176 -4 1 1 4
72.81 1.47 1.2989 -4 0 2 2
75.96 2.72 1.2527 2 4 0 4
76.52 3.13 1.2450 -1 1 6 4
76.55 2.03 1.2445 -3 3 2 4
76.56 2.54 1.2444 1 1 6 4
76.59 2.46 1.2440 3 3 2 4
77.19 1.86 1.2358 4 2 0 4
80.73 1.07 1.1903 4 1 3 4
84.68 1.67 1.1446 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.