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 = 295 K
_database_code_amcsd 0007739
CELL PARAMETERS: 5.4139 5.6012 7.7769 90.000 90.183 90.000
SPACE GROUP: P2_1/n
X-RAY WAVELENGTH: 1.541838
Cell Volume: 235.828
Density (g/cm3): 2.956
MAX. ABS. INTENSITY / VOLUME**2: 3.378106899
RIR: 0.372
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
19.53 56.18 4.5451 0 1 1 4
19.95 15.40 4.4499 -1 0 1 2
20.01 29.85 4.4366 1 0 1 2
22.84 63.11 3.8927 1 1 0 4
22.87 24.67 3.8884 0 0 2 2
25.57 9.78 3.4842 -1 1 1 4
25.61 6.91 3.4778 1 1 1 4
31.96 42.89 2.8006 0 2 0 2
32.51 87.25 2.7542 -1 1 2 4
32.59 77.84 2.7479 1 1 2 4
33.09 29.06 2.7069 2 0 0 2
36.11 8.14 2.4875 1 2 0 4
36.88 33.47 2.4372 2 1 0 4
37.96 9.01 2.3702 -1 2 1 4
37.99 19.40 2.3682 1 2 1 4
38.26 1.00 2.3526 0 1 3 4
38.45 35.89 2.3410 -1 0 3 2
38.55 24.18 2.3352 1 0 3 2
38.68 14.96 2.3276 -2 1 1 4
38.75 29.83 2.3238 2 1 1 4
39.66 33.44 2.2725 0 2 2 4
40.55 10.47 2.2250 -2 0 2 2
40.67 7.72 2.2183 2 0 2 2
41.82 7.26 2.1599 -1 1 3 4
41.91 24.88 2.1554 1 1 3 4
43.14 19.44 2.0968 -1 2 2 4
43.20 9.25 2.0940 1 2 2 4
43.78 5.47 2.0678 -2 1 2 4
43.90 2.39 2.0624 2 1 2 4
46.67 100.00 1.9464 2 2 0 4
46.72 55.38 1.9442 0 0 4 2
47.81 7.93 1.9024 0 2 3 4
48.17 5.84 1.8891 -2 2 1 4
48.22 3.17 1.8871 2 2 1 4
50.83 1.03 1.7961 -1 2 3 4
50.91 6.01 1.7935 1 2 3 4
51.38 5.71 1.7782 -2 1 3 4
51.80 13.22 1.7651 1 3 0 4
52.06 3.74 1.7567 3 0 1 2
52.53 15.53 1.7421 -2 2 2 4
52.67 11.28 1.7377 1 1 4 4
53.20 21.01 1.7217 -1 3 1 4
53.23 6.74 1.7209 1 3 1 4
54.52 2.33 1.6831 0 3 2 4
54.76 9.01 1.6762 3 1 1 4
57.30 18.07 1.6079 -1 3 2 4
57.35 7.29 1.6066 1 3 2 4
57.72 24.38 1.5971 0 2 4 4
58.35 2.53 1.5815 -2 0 4 2
58.54 19.98 1.5767 2 0 4 2
58.69 37.85 1.5730 -3 1 2 4
58.84 18.96 1.5694 3 1 2 4
61.09 3.73 1.5170 3 2 0 4
61.48 4.85 1.5083 -2 3 1 4
61.92 2.90 1.4987 0 1 5 4
62.15 3.76 1.4936 1 0 5 2
62.33 2.76 1.4897 -3 2 1 4
63.83 3.89 1.4583 1 3 3 4
65.23 1.21 1.4302 -2 3 2 4
65.25 1.90 1.4299 3 1 3 4
65.33 2.17 1.4284 2 3 2 4
66.81 5.91 1.4003 0 4 0 2
68.09 11.91 1.3771 -2 2 4 4
68.26 10.93 1.3739 2 2 4 4
69.31 3.47 1.3557 1 4 0 4
69.44 2.96 1.3535 4 0 0 2
71.41 2.78 1.3210 2 3 3 4
71.49 4.98 1.3197 -1 2 5 4
71.63 1.61 1.3175 0 4 2 4
71.74 1.04 1.3156 4 1 0 4
71.92 1.80 1.3128 -2 1 5 4
72.24 1.77 1.3077 3 2 3 4
72.26 2.85 1.3075 -1 3 4 4
72.34 1.42 1.3062 1 3 4 4
72.88 1.48 1.2978 -4 1 1 4
74.10 1.78 1.2795 -4 0 2 2
76.34 1.40 1.2474 -4 1 2 4
76.61 3.32 1.2437 2 4 0 4
77.50 2.46 1.2317 -3 3 2 4
77.58 5.08 1.2306 -1 1 6 4
77.62 3.57 1.2300 3 3 2 4
77.70 3.92 1.2289 1 1 6 4
78.49 2.63 1.2186 4 2 0 4
78.66 1.95 1.2164 -2 2 5 4
81.24 1.56 1.1841 2 4 2 4
82.29 1.81 1.1717 4 1 3 4
82.75 2.24 1.1663 1 3 5 4
82.97 1.01 1.1638 -4 2 2 4
83.13 1.36 1.1619 4 2 2 4
83.37 1.57 1.1593 3 3 3 4
84.08 1.11 1.1512 3 1 5 4
85.45 2.28 1.1363 0 4 4 4
86.80 1.46 1.1220 -2 4 3 4
87.73 1.13 1.1125 -4 0 4 2
88.06 1.39 1.1091 4 0 4 2
89.30 1.03 1.0970 1 5 0 4
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.