BaCaAlF7
Werner F, Weil M
Acta Crystallographica E59 (2003) i17-i19
alpha-BaCaAlF7
_database_code_amcsd 0010396
CELL PARAMETERS: 5.3664 5.3846 18.8262 90.000 92.319 90.000
SPACE GROUP: P2/n
X-RAY WAVELENGTH: 1.541838
Cell Volume: 543.555
Density (g/cm3): 4.122
MAX. ABS. INTENSITY / VOLUME**2: 21.34244569
RIR: 1.686
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
9.40 27.60 9.4054 0 0 2 2
17.01 5.19 5.2125 -1 0 1 2
17.13 5.73 5.1767 0 1 1 4
18.87 1.66 4.7027 0 0 4 2
21.36 19.17 4.1591 -1 0 3 2
21.76 43.19 4.0850 0 1 3 4
22.25 26.43 3.9961 1 0 3 2
23.41 100.00 3.7995 1 1 0 4
24.03 3.98 3.7037 1 1 1 4
25.02 94.07 3.5585 -1 1 2 4
25.54 46.15 3.4883 1 1 2 4
28.42 19.93 3.1400 -1 0 5 2
28.47 34.14 3.1351 0 0 6 2
28.95 46.32 3.0840 0 1 5 4
29.55 26.03 3.0227 1 0 5 2
29.80 19.47 2.9977 -1 1 4 4
30.67 26.01 2.9148 1 1 4 4
33.02 1.00 2.7125 -1 1 5 4
33.28 28.43 2.6923 0 2 0 2
33.42 24.75 2.6810 2 0 0 2
34.41 6.76 2.6063 -2 0 2 2
34.66 10.75 2.5883 0 2 2 4
35.18 5.42 2.5512 2 0 2 2
36.31 1.66 2.4739 0 2 3 4
36.63 5.66 2.4530 -1 1 6 4
36.80 2.72 2.4423 -1 0 7 2
37.40 1.04 2.4045 0 1 7 4
37.60 6.52 2.3921 -1 2 1 4
37.61 2.58 2.3916 -2 1 1 4
37.72 7.78 2.3848 1 1 6 4
37.78 2.78 2.3812 1 2 1 4
37.95 1.15 2.3707 -2 0 4 2
37.97 9.01 2.3699 2 1 1 4
38.28 27.60 2.3513 0 0 8 2
39.07 4.54 2.3055 2 1 2 4
39.35 2.63 2.2896 2 0 4 2
39.72 25.25 2.2690 -2 1 3 4
39.89 44.88 2.2601 -1 2 3 4
40.40 11.22 2.2328 1 2 3 4
40.74 21.76 2.2148 2 1 3 4
41.23 11.50 2.1894 0 2 5 4
41.62 2.79 2.1697 -2 1 4 4
41.72 1.09 2.1649 1 1 7 4
41.86 1.47 2.1579 -1 2 4 4
42.51 2.30 2.1264 1 2 4 4
42.92 3.43 2.1070 2 1 4 4
43.52 28.50 2.0796 -2 0 6 2
44.01 13.94 2.0574 -2 1 5 4
44.32 9.46 2.0439 -1 2 5 4
44.35 30.29 2.0425 0 2 6 4
44.74 24.26 2.0256 -1 1 8 4
45.10 31.86 2.0105 1 2 5 4
45.39 13.94 1.9980 2 0 6 2
45.56 25.64 1.9909 2 1 5 4
45.96 4.06 1.9746 -1 0 9 2
45.97 19.74 1.9743 1 1 8 4
46.61 7.15 1.9485 0 1 9 4
46.83 2.05 1.9399 -2 1 6 4
47.31 2.35 1.9212 1 0 9 2
47.82 1.34 1.9020 0 2 7 4
47.88 26.36 1.8997 2 2 0 4
47.99 4.35 1.8956 -2 2 1 4
48.39 4.34 1.8811 0 0 10 2
50.03 5.69 1.8231 -2 1 7 4
50.45 1.21 1.8089 -1 2 7 4
51.12 2.02 1.7868 0 3 1 4
51.44 4.29 1.7766 1 2 7 4
51.56 1.11 1.7726 3 0 1 2
51.61 1.25 1.7710 0 2 8 4
52.68 2.43 1.7375 -3 0 3 2
53.07 4.37 1.7256 0 3 3 4
53.86 8.13 1.7020 1 3 0 4
53.91 3.78 1.7008 3 0 3 2
54.04 1.56 1.6971 -1 3 1 4
54.06 3.82 1.6963 3 1 0 4
54.17 1.23 1.6932 1 3 1 4
54.60 14.34 1.6807 -3 1 2 4
54.68 8.65 1.6786 -1 3 2 4
54.95 4.95 1.6711 1 3 2 4
55.41 8.18 1.6583 3 1 2 4
55.76 4.27 1.6486 -1 0 11 2
55.78 1.88 1.6480 -1 3 3 4
55.86 7.73 1.6458 -2 2 6 4
56.07 1.59 1.6403 -3 0 5 2
56.18 2.05 1.6373 1 3 3 4
56.46 7.73 1.6299 0 1 11 4
56.83 5.59 1.6200 0 3 5 4
57.00 2.64 1.6156 -3 1 4 4
57.20 3.26 1.6105 1 0 11 2
57.40 1.77 1.6052 -2 1 9 4
57.43 3.85 1.6045 2 2 6 4
57.85 4.19 1.5939 1 3 4 4
57.92 3.97 1.5923 -1 2 9 4
58.02 2.65 1.5897 3 0 5 2
58.55 1.69 1.5765 3 1 4 4
58.92 2.08 1.5676 0 0 12 2
59.07 6.72 1.5639 1 2 9 4
59.71 7.61 1.5486 2 1 9 4
59.99 2.16 1.5420 0 2 10 4
61.11 5.02 1.5165 -3 1 6 4
61.34 2.73 1.5114 2 0 10 2
61.67 3.29 1.5039 -1 3 6 4
61.91 2.40 1.4989 -2 2 8 4
62.42 3.68 1.4878 1 3 6 4
63.33 1.45 1.4685 3 1 6 4
63.75 2.37 1.4599 -3 2 3 4
63.82 1.93 1.4584 -2 3 3 4
64.55 3.86 1.4437 2 3 3 4
64.56 2.15 1.4435 0 2 11 4
64.84 5.95 1.4379 3 2 3 4
65.91 10.22 1.4172 -2 1 11 4
66.50 12.16 1.4060 -1 2 11 4
66.74 4.95 1.4015 -3 1 8 4
66.78 3.22 1.4008 -3 2 5 4
66.96 1.55 1.3974 0 1 13 4
66.97 4.61 1.3973 -2 3 5 4
67.52 3.61 1.3872 -1 3 8 4
67.81 4.53 1.3821 1 2 11 4
68.05 1.17 1.3777 -2 0 12 2
68.15 4.83 1.3759 2 3 5 4
68.46 2.85 1.3704 1 3 8 4
68.52 6.40 1.3694 2 1 11 4
68.55 3.87 1.3689 3 2 5 4
68.96 1.78 1.3617 0 3 9 4
69.57 3.36 1.3513 3 1 8 4
69.88 2.93 1.3462 0 4 0 2
70.21 3.68 1.3405 4 0 0 2
70.69 1.76 1.3326 0 4 2 4
70.73 1.95 1.3320 3 0 9 2
71.60 1.74 1.3179 2 2 10 4
72.38 1.17 1.3056 1 4 0 4
72.66 1.60 1.3012 -4 1 1 4
73.81 1.92 1.2837 -4 1 3 4
74.02 1.30 1.2807 -1 4 3 4
74.18 2.72 1.2783 -1 1 14 4
74.36 5.26 1.2757 1 4 3 4
74.99 5.60 1.2665 3 3 0 4
75.18 4.35 1.2638 4 1 3 4
75.35 2.40 1.2614 -3 0 11 2
75.45 3.36 1.2599 -3 3 2 4
75.48 1.64 1.2595 -2 1 13 4
75.76 4.58 1.2555 1 1 14 4
76.08 2.61 1.2510 -4 0 6 2
76.13 1.66 1.2504 3 3 2 4
76.15 1.50 1.2501 -1 2 13 4
76.55 2.31 1.2446 -4 1 5 4
77.02 4.61 1.2381 0 3 11 4
77.08 3.28 1.2372 -1 4 5 4
77.11 2.36 1.2369 0 4 6 4
77.43 1.04 1.2326 -3 2 9 4
77.61 1.64 1.2302 1 2 13 4
77.64 1.32 1.2297 1 4 5 4
78.40 1.06 1.2198 2 1 13 4
78.77 1.51 1.2149 4 0 6 2
78.79 2.86 1.2147 4 1 5 4
79.05 1.66 1.2114 3 0 11 2
79.71 3.58 1.2030 2 4 0 4
79.77 1.42 1.2022 0 2 14 4
79.84 1.09 1.2013 2 3 9 4
79.95 3.98 1.2000 4 2 0 4
80.27 1.52 1.1960 -2 4 2 4
80.29 1.55 1.1958 -4 2 2 4
80.44 1.53 1.1939 3 2 9 4
81.07 2.23 1.1862 -3 3 6 4
81.95 4.20 1.1757 0 0 16 2
82.58 1.23 1.1682 0 4 8 4
84.90 2.16 1.1422 -3 2 11 4
85.40 2.52 1.1368 -2 3 11 4
85.61 2.95 1.1345 -4 2 6 4
85.82 1.28 1.1323 -1 1 16 4
86.03 2.27 1.1301 -2 4 6 4
86.17 3.90 1.1286 -3 3 8 4
87.35 1.41 1.1164 2 4 6 4
87.57 1.27 1.1141 1 1 16 4
87.75 2.11 1.1123 -1 4 9 4
87.81 2.53 1.1117 2 3 11 4
88.24 2.02 1.1074 4 2 6 4
88.51 2.22 1.1047 3 2 11 4
88.79 3.30 1.1019 3 3 8 4
89.70 1.17 1.0931 -2 0 16 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.