Barberiite
van Rensburg D J J, Boeyens J C A
Journal of Solid State Chemistry 5 (1972) 79-84
The crystal structure of ammonium tetrafluoroborate IV at 140 K
Locality: synthetic
Sample: T = 140 K
Note: x(H2), y(H2) adjusted to match reported bond lengths
_database_code_amcsd 0013299
CELL PARAMETERS: 7.2430 8.8080 5.9080 90.000 90.000 90.000
SPACE GROUP: Pbnm
X-RAY WAVELENGTH: 1.541838
Cell Volume: 376.909
Density (g/cm3): 1.847
MAX. ABS. INTENSITY / VOLUME**2: 2.549163380
RIR: 0.449
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
15.84 20.89 5.5944 1 1 0 4
19.39 100.00 4.5781 1 0 1 4
20.16 13.31 4.4040 0 2 0 2
23.64 68.19 3.7630 1 2 0 4
24.58 30.39 3.6215 2 0 0 2
25.22 76.69 3.5309 0 2 1 4
26.61 17.51 3.3494 2 1 0 4
28.11 71.74 3.1739 1 2 1 8
30.26 29.10 2.9540 0 0 2 2
30.68 57.88 2.9138 2 1 1 8
32.00 13.94 2.7972 2 2 0 4
34.33 75.33 2.6122 1 1 2 8
35.51 24.52 2.5282 2 2 1 8
36.35 39.51 2.4714 1 3 1 8
36.63 21.33 2.4532 0 2 2 4
38.67 24.03 2.3284 3 1 0 4
38.75 39.56 2.3236 1 2 2 8
39.36 21.36 2.2891 2 0 2 4
39.51 55.25 2.2807 2 3 0 4
40.36 18.24 2.2349 3 0 1 4
40.73 41.34 2.2155 2 1 2 8
41.69 11.55 2.1663 3 1 1 8
42.49 9.44 2.1276 2 3 1 8
42.71 7.60 2.1171 3 2 0 4
42.93 23.97 2.1068 1 4 0 4
43.88 16.10 2.0633 0 4 1 4
44.61 5.66 2.0311 2 2 2 8
45.51 2.06 1.9930 3 2 1 8
47.87 3.69 1.9003 1 0 3 4
48.38 2.93 1.8815 2 4 0 4
48.84 1.32 1.8648 3 3 0 4
49.04 3.08 1.8576 1 1 3 8
49.87 11.36 1.8287 3 1 2 8
50.40 1.12 1.8108 4 0 0 2
50.79 1.79 1.7978 0 2 3 4
50.94 12.39 1.7928 2 4 1 8
51.53 2.27 1.7737 4 1 0 4
51.78 2.56 1.7655 0 4 2 4
53.23 1.73 1.7208 3 2 2 8
53.42 9.59 1.7152 1 4 2 8
53.54 1.82 1.7117 1 5 0 4
53.98 5.52 1.6988 4 1 1 8
54.02 29.07 1.6976 2 1 3 8
55.93 1.47 1.6441 1 5 1 8
56.57 19.30 1.6269 3 4 0 4
57.21 1.02 1.6103 2 2 3 8
58.24 5.35 1.5841 2 5 0 4
58.54 3.18 1.5769 3 3 2 8
58.88 1.24 1.5686 3 4 1 8
59.92 2.60 1.5438 4 0 2 4
60.51 4.29 1.5301 2 5 1 8
60.69 11.20 1.5260 3 0 3 4
60.93 2.39 1.5206 4 1 2 8
62.93 8.26 1.4770 0 0 4 2
63.36 2.67 1.4680 0 6 0 2
63.36 16.99 1.4679 0 4 3 4
65.28 6.59 1.4294 5 1 0 4
65.34 1.67 1.4281 1 1 4 8
65.50 4.22 1.4251 3 4 2 8
65.52 1.11 1.4247 0 6 1 4
66.45 2.17 1.4069 5 0 1 4
66.94 5.33 1.3979 1 6 1 8
67.41 1.43 1.3893 5 1 1 8
68.69 16.48 1.3664 4 3 2 8
69.00 2.14 1.3610 4 4 1 8
69.03 1.52 1.3605 2 6 0 4
69.41 7.95 1.3541 3 3 3 8
69.56 1.71 1.3514 2 1 4 8
71.60 1.92 1.3179 4 1 3 8
71.81 1.31 1.3146 0 6 2 4
73.93 5.03 1.2821 3 5 2 8
74.83 1.27 1.2688 5 3 1 8
76.90 2.01 1.2397 2 3 4 8
77.20 1.81 1.2357 2 6 2 8
79.14 2.05 1.2102 5 4 0 4
82.70 1.35 1.1669 5 0 3 4
82.76 2.37 1.1662 1 0 5 4
82.84 1.38 1.1652 2 7 1 8
83.21 2.24 1.1610 4 5 2 8
83.88 1.98 1.1534 3 5 3 8
84.81 2.77 1.1431 1 7 2 8
84.99 2.32 1.1412 0 2 5 4
86.29 2.03 1.1273 1 2 5 8
87.01 1.40 1.1199 5 4 2 8
88.89 2.64 1.1010 0 8 0 2
89.65 2.89 1.0936 3 4 4 8
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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.