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 = 473 K
_database_code_amcsd 0007741
CELL PARAMETERS: 5.4544 5.6155 7.8220 90.000 90.118 90.000
SPACE GROUP: P2_1/n
X-RAY WAVELENGTH: 1.541838
Cell Volume: 239.581
Density (g/cm3): 2.910
MAX. ABS. INTENSITY / VOLUME**2: 3.078385065
RIR: 0.344
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
19.46 60.34 4.5617 0 1 1 4
19.82 17.79 4.4784 -1 0 1 2
19.86 31.68 4.4697 1 0 1 2
22.73 69.59 3.9126 1 1 0 4
22.74 27.84 3.9110 0 0 2 2
25.44 9.75 3.5013 -1 1 1 4
25.47 6.83 3.4971 1 1 1 4
31.87 45.41 2.8077 0 2 0 2
32.34 89.76 2.7681 -1 1 2 4
32.39 80.25 2.7640 1 1 2 4
32.84 30.81 2.7272 2 0 0 2
35.98 8.29 2.4964 1 2 0 4
36.63 32.78 2.4532 2 1 0 4
37.82 9.29 2.3789 -1 2 1 4
37.84 18.31 2.3776 1 2 1 4
38.23 35.11 2.3543 -1 0 3 2
38.29 23.56 2.3505 1 0 3 2
38.44 14.60 2.3420 -2 1 1 4
38.48 28.58 2.3395 2 1 1 4
39.51 33.01 2.2808 0 2 2 4
40.28 10.18 2.2392 -2 0 2 2
40.36 7.96 2.2349 2 0 2 2
41.60 6.66 2.1712 -1 1 3 4
41.65 22.94 2.1682 1 1 3 4
42.96 18.22 2.1052 -1 2 2 4
43.00 8.85 2.1034 1 2 2 4
43.51 5.17 2.0799 -2 1 2 4
43.59 2.37 2.0765 2 1 2 4
46.42 100.00 1.9563 2 2 0 4
46.44 55.48 1.9555 0 0 4 2
47.59 6.92 1.9106 0 2 3 4
47.92 5.10 1.8985 -2 2 1 4
47.95 2.62 1.8972 2 2 1 4
50.65 5.53 1.8023 1 2 3 4
51.07 5.21 1.7883 -2 1 3 4
51.63 12.73 1.7705 1 3 0 4
51.64 3.68 1.7701 3 0 1 2
52.25 14.91 1.7506 -2 2 2 4
52.33 11.52 1.7482 1 1 4 4
53.02 18.52 1.7270 -1 3 1 4
53.04 5.80 1.7265 1 3 1 4
54.33 2.08 1.6884 0 3 2 4
54.34 8.09 1.6882 3 1 1 4
57.09 17.20 1.6133 -1 3 2 4
57.12 6.94 1.6125 1 3 2 4
57.43 22.48 1.6047 0 2 4 4
57.98 2.41 1.5907 -2 0 4 2
58.10 18.48 1.5876 2 0 4 2
58.28 35.04 1.5831 -3 1 2 4
58.38 17.43 1.5808 3 1 2 4
60.68 3.30 1.5261 3 2 0 4
61.20 4.69 1.5144 -2 3 1 4
61.53 2.75 1.5070 0 1 5 4
61.72 3.68 1.5029 1 0 5 2
61.93 2.78 1.4984 -3 2 1 4
63.54 3.31 1.4643 1 3 3 4
64.73 1.62 1.4401 3 1 3 4
64.93 1.11 1.4361 -2 3 2 4
64.99 1.85 1.4350 2 3 2 4
66.62 5.55 1.4039 0 4 0 2
67.70 10.84 1.3840 -2 2 4 4
67.81 10.38 1.3820 2 2 4 4
68.85 2.83 1.3636 4 0 0 2
69.09 2.78 1.3596 1 4 0 4
71.01 2.42 1.3274 2 3 3 4
71.09 4.42 1.3262 -1 2 5 4
71.39 1.41 1.3213 0 4 2 4
71.46 1.55 1.3201 -2 1 5 4
71.71 1.71 1.3161 3 2 3 4
71.92 2.67 1.3129 -1 3 4 4
71.97 1.40 1.3120 1 3 4 4
72.30 1.37 1.3069 -4 1 1 4
73.50 1.71 1.2884 -4 0 2 2
75.74 1.14 1.2558 -4 1 2 4
76.29 3.11 1.2482 2 4 0 4
77.05 2.34 1.2378 -3 3 2 4
77.08 4.39 1.2374 -1 1 6 4
77.13 3.18 1.2367 3 3 2 4
77.16 3.40 1.2363 1 1 6 4
77.88 2.31 1.2266 4 2 0 4
78.18 1.47 1.2227 -2 2 5 4
80.86 1.28 1.1888 2 4 2 4
81.56 1.55 1.1803 4 1 3 4
82.27 1.60 1.1719 1 3 5 4
82.45 1.19 1.1698 4 2 2 4
82.80 1.15 1.1657 3 3 3 4
85.06 2.07 1.1404 0 4 4 4
86.39 1.02 1.1263 -2 4 3 4
87.24 1.20 1.1174 4 0 4 2
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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.