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 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.