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 = 373 K
_database_code_amcsd 0007740
CELL PARAMETERS: 5.4306 5.6069 7.7944 90.000 90.155 90.000
SPACE GROUP: P2_1/n
X-RAY WAVELENGTH: 1.541838
Cell Volume: 237.330
Density (g/cm3): 2.937
MAX. ABS. INTENSITY / VOLUME**2: 3.350240063
RIR: 0.371
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
19.50 56.12 4.5516 0 1 1 4
19.90 15.44 4.4614 -1 0 1 2
19.95 29.95 4.4501 1 0 1 2
22.80 63.18 3.9008 1 1 0 4
22.82 24.70 3.8972 0 0 2 2
25.52 9.78 3.4911 -1 1 1 4
25.56 6.92 3.4857 1 1 1 4
31.92 42.77 2.8035 0 2 0 2
32.44 87.22 2.7597 -1 1 2 4
32.51 77.89 2.7543 1 1 2 4
32.99 29.14 2.7153 2 0 0 2
36.05 8.12 2.4911 1 2 0 4
36.78 33.57 2.4438 2 1 0 4
37.90 9.01 2.3737 -1 2 1 4
37.93 19.36 2.3720 1 2 1 4
38.37 35.93 2.3462 -1 0 3 2
38.45 24.24 2.3412 1 0 3 2
38.58 15.00 2.3335 -2 1 1 4
38.64 29.92 2.3303 2 1 1 4
39.60 33.34 2.2758 0 2 2 4
40.44 10.49 2.2307 -2 0 2 2
40.54 7.76 2.2250 2 0 2 2
41.73 7.26 2.1643 -1 1 3 4
41.81 24.91 2.1605 1 1 3 4
43.07 19.41 2.1001 -1 2 2 4
43.12 9.25 2.0978 1 2 2 4
43.67 5.47 2.0727 -2 1 2 4
43.77 2.40 2.0681 2 1 2 4
46.56 100.00 1.9504 2 2 0 4
46.61 55.42 1.9486 0 0 4 2
47.73 7.91 1.9056 0 2 3 4
48.07 5.83 1.8929 -2 2 1 4
48.11 3.16 1.8912 2 2 1 4
50.74 1.02 1.7992 -1 2 3 4
50.81 6.00 1.7970 1 2 3 4
51.26 5.72 1.7823 -2 1 3 4
51.73 13.19 1.7672 1 3 0 4
51.89 3.77 1.7622 3 0 1 2
52.42 15.54 1.7455 -2 2 2 4
52.54 11.31 1.7418 1 1 4 4
53.13 20.91 1.7238 -1 3 1 4
53.15 6.71 1.7232 1 3 1 4
54.45 2.31 1.6852 0 3 2 4
54.59 9.05 1.6811 3 1 1 4
57.22 18.00 1.6100 -1 3 2 4
57.26 7.26 1.6090 1 3 2 4
57.61 24.34 1.6000 0 2 4 4
58.20 2.53 1.5852 -2 0 4 2
58.36 20.04 1.5811 2 0 4 2
58.53 37.93 1.5771 -3 1 2 4
58.65 19.03 1.5741 3 1 2 4
60.92 3.74 1.5207 3 2 0 4
61.36 4.84 1.5108 -2 3 1 4
61.77 2.91 1.5019 0 1 5 4
61.98 3.76 1.4973 1 0 5 2
62.17 2.77 1.4932 -3 2 1 4
63.71 3.88 1.4606 1 3 3 4
65.04 1.91 1.4340 3 1 3 4
65.11 1.21 1.4326 -2 3 2 4
65.19 2.17 1.4311 2 3 2 4
66.73 5.87 1.4017 0 4 0 2
67.93 11.88 1.3799 -2 2 4 4
68.08 10.93 1.3772 2 2 4 4
69.20 2.97 1.3576 4 0 0 2
69.22 3.44 1.3572 1 4 0 4
71.25 2.78 1.3236 2 3 3 4
71.33 4.96 1.3222 -1 2 5 4
71.50 1.05 1.3195 4 1 0 4
71.53 1.60 1.3190 0 4 2 4
71.74 1.80 1.3157 -2 1 5 4
72.03 1.78 1.3111 3 2 3 4
72.12 2.84 1.3096 -1 3 4 4
72.20 1.42 1.3085 1 3 4 4
72.64 1.49 1.3016 -4 1 1 4
73.85 1.79 1.2832 -4 0 2 2
76.10 1.40 1.2508 -4 1 2 4
76.48 3.31 1.2455 2 4 0 4
77.31 2.46 1.2342 -3 3 2 4
77.38 5.07 1.2332 -1 1 6 4
77.42 3.57 1.2327 3 3 2 4
77.49 3.91 1.2318 1 1 6 4
78.24 2.63 1.2219 4 2 0 4
78.47 1.94 1.2189 -2 2 5 4
81.09 1.55 1.1860 2 4 2 4
81.99 1.81 1.1752 4 1 3 4
82.56 2.23 1.1685 1 3 5 4
82.71 1.01 1.1667 -4 2 2 4
82.85 1.36 1.1651 4 2 2 4
83.14 1.56 1.1619 3 3 3 4
83.80 1.10 1.1544 3 1 5 4
85.30 2.26 1.1379 0 4 4 4
86.64 1.45 1.1237 -2 4 3 4
87.45 1.13 1.1154 -4 0 4 2
87.73 1.39 1.1125 4 0 4 2
89.17 1.02 1.0982 1 5 0 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.