Cryolite
Zhou Q, Kennedy B J
Journal of Solid State Chemistry 177 (2004) 654-659
High-temperature powder synchrotron diffraction studies of synthetic cryolite
Na3AlF6
Locality: synthetic
Sample: T = room temperature
Note: reported and calculated bond lengths disagree
_database_code_amcsd 0014038
CELL PARAMETERS: 5.3956 5.5821 7.7568 90.000 90.181 90.000
SPACE GROUP: P2_1/n
X-RAY WAVELENGTH: 1.541838
Cell Volume: 233.624
Density (g/cm3): 2.984
MAX. ABS. INTENSITY / VOLUME**2: 4.525168306
RIR: 0.494
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
19.59 34.29 4.5308 0 1 1 4
20.02 9.13 4.4359 -1 0 1 2
20.08 24.33 4.4228 1 0 1 2
22.92 43.95 3.8795 1 1 0 4
22.93 16.80 3.8784 0 0 2 2
25.65 8.21 3.4729 -1 1 1 4
25.70 6.13 3.4666 1 1 1 4
32.07 32.82 2.7910 0 2 0 2
32.61 74.66 2.7459 -1 1 2 4
32.69 63.74 2.7397 1 1 2 4
33.21 21.63 2.6978 2 0 0 2
36.24 7.70 2.4790 1 2 0 4
37.01 32.51 2.4290 2 1 0 4
38.09 8.23 2.3623 -1 2 1 4
38.13 20.11 2.3604 1 2 1 4
38.37 1.50 2.3461 0 1 3 4
38.56 38.53 2.3346 -1 0 3 2
38.66 23.75 2.3288 1 0 3 2
38.82 14.99 2.3199 -2 1 1 4
38.88 30.99 2.3161 2 1 1 4
39.79 35.97 2.2654 0 2 2 4
40.68 11.38 2.2180 -2 0 2 2
40.80 8.31 2.2114 2 0 2 2
41.95 8.19 2.1538 -1 1 3 4
42.04 24.91 2.1493 1 1 3 4
43.29 21.06 2.0902 -1 2 2 4
43.35 9.66 2.0874 1 2 2 4
43.93 5.60 2.0612 -2 1 2 4
44.04 2.31 2.0560 2 1 2 4
46.84 100.00 1.9398 2 2 0 4
46.85 51.74 1.9392 0 0 4 2
47.96 9.69 1.8968 0 2 3 4
48.34 6.12 1.8828 -2 2 1 4
48.40 4.40 1.8808 2 2 1 4
51.00 1.38 1.7907 -1 2 3 4
51.08 8.81 1.7881 1 2 3 4
51.55 6.48 1.7728 -2 1 3 4
51.99 12.29 1.7590 1 3 0 4
52.25 4.70 1.7508 3 0 1 2
52.71 15.40 1.7364 -2 2 2 4
52.83 9.57 1.7330 1 1 4 4
53.40 23.33 1.7159 -1 3 1 4
53.42 8.98 1.7151 1 3 1 4
54.71 2.55 1.6776 0 3 2 4
54.96 10.50 1.6706 3 1 1 4
57.51 19.36 1.6026 -1 3 2 4
57.56 8.31 1.6014 1 3 2 4
57.90 27.49 1.5925 0 2 4 4
58.53 2.69 1.5770 -2 0 4 2
58.72 23.27 1.5723 2 0 4 2
58.91 43.49 1.5678 -3 1 2 4
59.05 21.71 1.5644 3 1 2 4
61.32 5.00 1.5118 3 2 0 4
61.39 1.24 1.5103 0 3 3 4
61.71 4.16 1.5032 -2 3 1 4
62.10 2.54 1.4947 0 1 5 4
62.21 1.29 1.4922 -1 0 5 2
62.33 4.45 1.4897 1 0 5 2
62.57 2.25 1.4846 -3 2 1 4
63.99 1.06 1.4551 -1 3 3 4
64.05 5.15 1.4537 1 3 3 4
65.48 1.78 1.4255 -2 3 2 4
65.48 2.94 1.4254 3 1 3 4
65.57 2.99 1.4238 2 3 2 4
67.07 6.94 1.3955 0 4 0 2
68.29 1.08 1.3735 0 4 1 4
68.32 14.19 1.3730 -2 2 4 4
68.50 12.30 1.3699 2 2 4 4
69.58 6.42 1.3511 1 4 0 4
69.71 3.32 1.3489 4 0 0 2
71.67 3.67 1.3168 2 3 3 4
71.72 6.85 1.3159 -1 2 5 4
71.90 1.77 1.3131 0 4 2 4
72.03 2.10 1.3112 4 1 0 4
72.15 2.28 1.3091 -2 1 5 4
72.51 2.03 1.3036 3 2 3 4
72.51 2.57 1.3035 -1 3 4 4
72.60 1.20 1.3022 1 3 4 4
73.17 1.58 1.2935 -4 1 1 4
74.39 2.02 1.2753 -4 0 2 2
76.64 2.62 1.2433 -4 1 2 4
76.92 3.44 1.2395 2 4 0 4
77.80 2.38 1.2276 -3 3 2 4
77.82 7.06 1.2273 -1 1 6 4
77.93 4.32 1.2259 3 3 2 4
77.95 4.97 1.2257 1 1 6 4
78.81 3.01 1.2145 4 2 0 4
78.93 3.73 1.2129 -2 2 5 4
80.00 1.18 1.1994 4 2 1 4
81.57 1.61 1.1802 2 4 2 4
82.61 2.66 1.1679 4 1 3 4
83.05 4.66 1.1629 1 3 5 4
83.47 1.53 1.1581 4 2 2 4
83.70 3.23 1.1555 3 3 3 4
84.08 1.20 1.1513 -3 1 5 4
84.39 2.21 1.1478 3 1 5 4
85.78 2.96 1.1327 0 4 4 4
87.16 3.47 1.1183 -2 4 3 4
87.28 1.32 1.1171 2 4 3 4
88.08 1.67 1.1090 -4 0 4 2
88.08 1.40 1.1090 -1 4 4 4
88.41 1.77 1.1057 4 0 4 2
88.94 1.75 1.1005 -4 2 3 4
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.