AlF3
Le Bail A, Fourquet J, Bentrup U
Journal of Solid State Chemistry 100 (1992) 151-159
t-AlF3: crystal structure determination from X-ray powder diffraction
data. A new MX3 corner-sharing octahedra 3D network
_cod_database_code 1000110
_database_code_amcsd 0013741
CELL PARAMETERS: 10.1843 10.1843 7.1738 90.000 90.000 90.000
SPACE GROUP: P4/nmm
X-RAY WAVELENGTH: 1.541838
Cell Volume: 744.066
Density (g/cm3): 2.998
MAX. ABS. INTENSITY / VOLUME**2: 7.174107469
RIR: 0.779
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
15.11 38.09 5.8649 1 0 1 8
17.42 19.44 5.0922 2 0 0 4
17.45 25.49 5.0824 1 1 1 8
21.40 100.00 4.1524 2 0 1 8
23.13 78.14 3.8451 2 1 1 16
24.73 23.01 3.6007 2 2 0 4
24.82 1.55 3.5869 0 0 2 2
26.34 47.59 3.3832 1 0 2 8
27.70 49.80 3.2206 3 1 0 8
27.72 47.36 3.2181 2 2 1 8
27.79 22.70 3.2107 1 1 2 8
29.10 50.19 3.0685 3 0 1 8
30.42 6.24 2.9381 3 1 1 16
30.48 11.53 2.9324 2 0 2 8
34.11 2.88 2.6282 3 2 1 16
35.32 1.19 2.5412 2 2 2 8
36.44 2.97 2.4656 3 0 2 8
37.61 2.10 2.3913 0 0 3 2
39.57 2.73 2.2773 4 2 0 8
39.59 1.12 2.2764 3 3 1 8
40.66 4.93 2.2191 3 2 2 16
41.61 2.87 2.1705 4 2 1 16
43.59 2.97 2.0762 4 0 2 8
44.54 18.53 2.0344 4 1 2 16
46.34 13.81 1.9594 4 3 1 16
46.45 1.47 1.9550 3 0 3 8
47.24 11.28 1.9241 5 1 1 16
47.28 11.08 1.9225 4 2 2 16
47.35 5.11 1.9199 3 1 3 16
49.97 2.95 1.8251 3 2 3 16
50.71 10.00 1.8003 4 4 0 4
50.92 1.68 1.7934 0 0 4 2
51.60 11.98 1.7712 5 0 2 8
51.60 11.44 1.7712 4 3 2 16
51.76 9.60 1.7663 1 0 4 8
52.38 3.51 1.7466 5 3 0 8
52.40 2.75 1.7462 4 4 1 8
52.44 14.31 1.7450 5 1 2 16
52.50 18.95 1.7430 4 0 3 8
52.59 7.14 1.7403 1 1 4 8
53.32 3.00 1.7181 4 1 3 16
54.02 16.34 1.6974 6 0 0 4
54.04 3.33 1.6970 5 3 1 16
54.14 18.46 1.6941 3 3 3 8
54.22 1.31 1.6916 2 0 4 8
54.88 1.84 1.6729 5 2 2 16
55.03 5.64 1.6687 2 1 4 16
55.64 5.95 1.6518 6 0 1 8
55.74 21.35 1.6491 4 2 3 16
56.43 2.18 1.6305 6 1 1 16
57.21 14.95 1.6103 6 2 0 8
57.26 8.51 1.6090 4 4 2 8
57.40 1.73 1.6053 2 2 4 8
58.18 1.19 1.5858 3 0 4 8
58.95 2.81 1.5669 3 1 4 16
59.63 1.71 1.5506 5 0 3 8
59.63 5.79 1.5506 4 3 3 16
60.33 4.45 1.5343 6 0 2 8
61.08 2.95 1.5171 6 1 2 16
62.54 3.49 1.4853 6 3 1 16
64.17 5.95 1.4513 4 1 4 16
64.72 1.53 1.4403 5 5 0 4
64.90 1.90 1.4367 3 3 4 8
65.46 1.76 1.4259 7 0 1 8
66.17 1.19 1.4123 6 4 0 8
66.18 2.24 1.4121 7 1 1 16
66.18 1.43 1.4121 5 5 1 8
66.34 2.03 1.4090 4 2 4 16
66.93 5.17 1.3981 6 3 2 16
67.61 3.75 1.3857 6 4 1 16
67.87 1.01 1.3810 2 0 5 8
68.31 2.89 1.3731 7 2 1 16
68.57 1.95 1.3685 2 1 5 16
70.45 1.30 1.3366 7 1 2 16
70.50 2.36 1.3357 6 2 3 16
71.84 1.46 1.3141 6 4 2 16
72.66 5.43 1.3013 5 2 4 16
74.12 1.11 1.2792 3 2 5 16
74.54 7.21 1.2730 8 0 0 4
74.71 1.41 1.2706 4 4 4 8
76.07 5.00 1.2513 5 3 4 16
76.16 2.86 1.2500 4 0 5 8
76.59 3.02 1.2441 8 1 1 16
77.41 3.68 1.2328 6 0 4 8
77.51 2.69 1.2315 3 3 5 8
77.96 2.44 1.2255 6 5 2 16
78.09 1.69 1.2239 6 1 4 16
79.93 5.60 1.2002 6 6 0 4
80.76 6.57 1.1900 5 4 4 16
81.63 2.25 1.1795 1 1 6 8
81.93 1.83 1.1759 8 3 1 16
82.60 1.23 1.1681 7 5 1 16
82.95 1.70 1.1640 2 0 6 8
85.93 1.40 1.1312 8 3 2 16
86.05 2.40 1.1299 7 0 4 8
86.55 3.20 1.1246 8 4 1 16
86.58 2.46 1.1242 7 5 2 16
86.71 2.24 1.1230 5 5 4 8
86.71 2.33 1.1230 7 1 4 16
86.91 2.77 1.1209 3 1 6 16
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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.