Ba4Nb2O3F12
Crosnier-Lopez M, Fourquet J
Journal of Solid State Chemistry 103 (1993) 131-138
Synthesis and crystal structure of Ba4Nb2O3F12
_cod_database_code 1000324
_database_code_amcsd 0013769
CELL PARAMETERS: 22.6720 13.0750 14.9960 90.000 114.234 90.000
SPACE GROUP: C2/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 4053.621
Density (g/cm3): 4.970
MAX. ABS. INTENSITY / VOLUME**2: 71.82458173
RIR: 4.706
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
8.55 2.77 10.3370 2 0 0 2
16.73 1.45 5.3004 -4 0 2 2
18.26 2.05 4.8584 2 0 2 2
19.37 1.77 4.5831 -1 1 3 4
19.63 1.59 4.5220 -3 1 3 4
20.75 1.58 4.2810 -4 2 1 4
22.40 3.04 3.9695 -2 2 3 4
22.68 7.49 3.9214 1 1 3 4
23.35 2.61 3.8093 -5 1 3 4
23.67 1.63 3.7590 -6 0 2 2
23.83 5.68 3.7347 -2 0 4 2
24.23 3.57 3.6732 -4 2 3 4
24.81 100.00 3.5882 -3 3 2 4
25.54 2.04 3.4882 1 3 2 4
25.85 2.55 3.4461 5 1 1 4
25.86 47.00 3.4457 6 0 0 2
26.07 33.97 3.4186 0 0 4 2
27.98 6.57 3.1893 2 2 3 4
28.23 24.68 3.1607 -6 0 4 2
28.58 2.01 3.1236 -2 4 1 4
28.72 1.57 3.1086 -6 2 3 4
28.72 4.36 3.1085 -5 3 2 4
29.00 1.32 3.0786 -7 1 1 4
29.30 1.78 3.0480 -7 1 3 4
29.78 1.30 2.9997 5 3 0 4
29.97 45.61 2.9812 3 3 2 4
31.60 1.50 2.8312 -4 4 1 4
31.94 2.08 2.8020 -1 1 5 4
33.09 1.06 2.7071 -4 2 5 4
33.21 2.00 2.6976 -2 2 5 4
33.82 2.16 2.6502 -8 0 4 2
34.50 2.49 2.5995 4 4 1 4
37.01 6.09 2.4292 4 0 4 2
38.58 1.40 2.3334 -4 2 6 4
39.34 1.45 2.2901 -8 2 5 4
39.71 1.24 2.2697 3 3 4 4
41.13 3.05 2.1947 -2 4 5 4
41.44 15.18 2.1792 0 6 0 2
41.51 32.98 2.1756 -9 3 2 4
41.78 14.38 2.1619 -3 3 6 4
42.05 17.28 2.1490 -5 3 6 4
42.15 1.30 2.1438 8 0 2 2
42.39 1.81 2.1323 2 6 0 4
42.86 2.01 2.1101 5 5 1 4
42.87 3.59 2.1094 -5 1 7 4
43.36 1.94 2.0870 7 1 3 4
43.76 2.91 2.0687 -10 2 1 4
44.33 5.94 2.0434 6 0 4 2
44.53 1.01 2.0346 3 5 3 4
44.53 2.63 2.0346 -4 2 7 4
44.59 1.19 2.0321 9 3 0 4
44.95 2.26 2.0167 -10 2 5 4
45.15 1.33 2.0080 4 6 0 4
45.59 1.66 1.9897 4 2 5 4
45.63 1.25 1.9883 2 6 2 4
45.80 1.12 1.9812 5 3 4 4
46.76 4.44 1.9428 1 3 6 4
46.84 1.26 1.9395 -5 5 5 4
47.02 3.67 1.9326 -1 5 5 4
47.29 1.76 1.9223 5 1 5 4
47.96 6.71 1.8970 -9 3 6 4
48.36 3.01 1.8822 -2 6 4 4
48.43 4.94 1.8795 -12 0 4 2
48.80 1.65 1.8663 -6 0 8 2
49.11 1.11 1.8552 1 1 7 4
49.14 2.33 1.8539 8 2 3 4
49.35 1.02 1.8466 -11 3 2 4
49.49 10.55 1.8417 6 6 0 4
49.61 9.41 1.8376 0 6 4 4
50.41 1.93 1.8102 -2 0 8 2
50.50 3.15 1.8073 -8 0 8 2
50.90 7.37 1.7941 -6 6 4 4
51.35 8.39 1.7794 9 3 2 4
51.58 4.58 1.7719 3 3 6 4
51.95 1.72 1.7601 4 4 5 4
53.04 1.99 1.7266 2 2 7 4
53.06 1.59 1.7258 11 3 0 4
53.10 1.12 1.7248 -13 1 3 4
53.14 4.28 1.7236 -11 3 6 4
53.16 2.70 1.7228 12 0 0 2
53.92 1.41 1.7005 1 7 3 4
54.52 1.90 1.6832 -8 6 4 4
55.26 1.29 1.6622 10 4 1 4
55.53 1.09 1.6549 -5 5 7 4
56.75 2.20 1.6221 4 6 4 4
56.87 1.10 1.6190 -14 0 4 2
57.26 1.20 1.6090 -7 7 1 4
58.39 1.20 1.5803 -12 0 8 2
59.24 2.72 1.5598 5 5 5 4
59.45 1.04 1.5548 -2 2 9 4
62.29 2.70 1.4906 6 6 4 4
64.23 3.09 1.4500 -14 0 8 2
64.30 1.01 1.4486 -13 5 3 4
65.59 3.40 1.4233 -12 6 4 4
65.89 1.07 1.4175 -6 6 8 4
65.98 3.18 1.4159 -3 9 2 4
66.12 3.24 1.4132 -5 3 10 4
66.83 1.49 1.3999 -15 3 6 4
66.84 1.25 1.3998 7 7 3 4
67.06 2.53 1.3957 -15 3 2 4
67.23 2.01 1.3925 -2 6 8 4
67.31 2.69 1.3911 -8 6 8 4
67.89 1.43 1.3806 -5 9 2 4
68.55 2.00 1.3689 3 9 2 4
69.56 2.02 1.3515 12 6 0 4
69.82 2.96 1.3470 -11 3 10 4
72.77 1.19 1.2996 -14 6 4 4
74.11 1.11 1.2793 -12 6 8 4
74.66 1.80 1.2712 1 3 10 4
75.11 1.04 1.2648 -17 3 6 4
75.63 2.23 1.2574 -9 9 2 4
75.77 1.27 1.2554 -18 0 4 2
75.81 1.42 1.2548 -3 9 6 4
76.00 1.80 1.2522 -5 9 6 4
76.23 1.49 1.2490 -8 0 12 2
79.17 1.17 1.2098 4 6 8 4
79.37 1.18 1.2073 1 9 6 4
79.38 2.01 1.2072 -14 6 8 4
79.47 1.20 1.2060 15 3 2 4
80.26 1.36 1.1961 -9 9 6 4
82.88 1.06 1.1649 9 9 2 4
83.14 1.04 1.1618 -14 0 12 2
85.13 1.96 1.1397 -17 3 10 4
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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.