Ba3 F12 H4 Nb2 O4 Crosnier-Lopez M, Fourquet J Journal of Solid State Chemistry 105 (1993) 92-99 Ba3Nb2O2F12.2H2O: Synthesis and crystal structure _cod_database_code 1000352 _database_code_amcsd 0013780 CELL PARAMETERS: 22.6330 7.8040 7.7480 90.000 90.000 90.000 SPACE GROUP: Cmc2_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 1368.513 Density (g/cm3): 4.318 MAX. ABS. INTENSITY / VOLUME**2: 33.41226693 RIR: 2.520 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 7.81 51.44 11.3165 2 0 0 2 12.00 22.33 7.3777 1 1 0 4 15.66 1.84 5.6582 4 0 0 2 16.34 43.92 5.4241 3 1 0 4 16.59 21.64 5.3430 1 1 1 4 19.98 10.91 4.4435 3 1 1 4 22.79 45.50 3.9020 0 2 0 2 22.96 38.33 3.8740 0 0 2 1 23.59 36.16 3.7722 6 0 0 2 24.13 30.38 3.6889 2 2 0 4 24.28 68.57 3.6652 2 0 2 2 25.49 100.00 3.4947 5 1 1 4 25.56 22.48 3.4850 0 2 1 2 25.98 10.46 3.4299 1 1 2 4 26.77 26.57 3.3306 2 2 1 4 27.77 15.16 3.2122 4 2 0 4 27.91 20.79 3.1966 4 0 2 2 28.31 1.25 3.1525 3 1 2 4 29.91 11.54 2.9871 7 1 0 4 30.12 9.87 2.9673 4 2 1 4 32.11 38.24 2.7871 7 1 1 4 32.51 5.32 2.7539 5 1 2 4 32.57 18.71 2.7492 0 2 2 2 33.03 5.84 2.7121 6 2 0 4 33.15 2.73 2.7026 6 0 2 2 33.55 10.62 2.6715 2 2 2 4 34.71 1.31 2.5843 1 3 0 4 35.06 6.91 2.5598 6 2 1 4 36.54 13.28 2.4592 3 3 0 4 36.66 6.90 2.4515 1 3 1 4 36.87 7.16 2.4376 1 1 3 4 38.04 1.33 2.3655 7 1 2 4 38.40 5.62 2.3440 3 3 1 4 38.61 9.57 2.3318 3 1 3 4 39.40 2.15 2.2869 9 1 1 4 39.44 17.59 2.2847 8 0 2 2 39.83 12.40 2.2633 10 0 0 2 39.97 18.63 2.2554 5 3 0 4 40.61 19.39 2.2217 6 2 2 4 41.09 13.94 2.1965 8 2 1 4 41.71 9.54 2.1655 5 3 1 4 41.90 23.98 2.1559 5 1 3 4 41.95 21.27 2.1537 0 2 3 2 42.03 3.00 2.1499 1 3 2 4 42.74 5.20 2.1157 2 2 3 4 43.59 3.57 2.0762 3 3 2 4 44.49 5.91 2.0363 9 1 2 4 44.71 13.66 2.0268 7 3 0 4 45.04 4.73 2.0128 4 2 3 4 46.30 23.00 1.9608 7 3 1 4 46.48 35.71 1.9537 7 1 3 4 46.60 15.10 1.9492 5 3 2 4 46.91 17.56 1.9370 0 0 4 1 47.16 22.49 1.9270 11 1 1 4 47.28 1.21 1.9226 2 4 0 4 47.63 2.15 1.9092 2 0 4 2 47.93 2.52 1.8981 10 2 1 4 48.09 7.88 1.8919 0 4 1 2 48.25 1.32 1.8861 12 0 0 2 48.60 1.62 1.8735 1 1 4 4 48.69 7.48 1.8703 6 2 3 4 48.80 5.44 1.8660 2 4 1 4 49.41 7.37 1.8444 4 4 0 4 49.75 3.64 1.8326 4 0 4 2 49.92 1.42 1.8268 1 3 3 4 50.00 1.62 1.8242 3 1 4 4 50.84 2.13 1.7959 7 3 2 4 51.30 3.38 1.7810 3 3 3 4 51.65 3.53 1.7698 11 1 2 4 51.93 2.00 1.7607 9 3 1 4 52.52 4.63 1.7425 0 4 2 2 52.76 6.24 1.7350 0 2 4 2 53.15 3.81 1.7231 6 0 4 2 53.43 4.12 1.7150 2 2 4 4 53.47 3.52 1.7136 8 2 3 4 53.96 2.36 1.6992 13 1 0 4 53.98 5.82 1.6988 5 3 3 4 54.00 4.33 1.6981 12 2 0 4 54.08 4.26 1.6958 12 0 2 2 54.24 2.83 1.6912 6 4 1 4 55.35 7.85 1.6598 13 1 1 4 55.39 4.04 1.6588 4 2 4 4 55.39 2.64 1.6587 12 2 1 4 56.63 1.23 1.6252 7 1 4 4 56.96 1.67 1.6166 14 0 0 2 57.07 1.03 1.6138 11 3 0 4 57.83 3.85 1.5944 7 3 3 4 58.33 4.44 1.5819 6 4 2 4 58.41 5.89 1.5799 11 3 1 4 58.56 2.04 1.5763 6 2 4 4 58.57 6.08 1.5761 11 1 3 4 58.71 1.36 1.5727 8 4 1 4 59.22 5.86 1.5602 10 2 3 4 59.37 4.70 1.5567 0 4 3 2 59.98 5.86 1.5422 2 4 3 4 60.66 1.55 1.5266 1 5 1 4 60.88 1.40 1.5217 3 3 4 4 61.88 3.15 1.4995 3 5 1 4 62.33 4.46 1.4897 11 3 2 4 62.61 2.41 1.4837 8 4 2 4 62.89 1.35 1.4777 10 4 0 4 63.00 6.24 1.4755 5 5 0 4 63.18 1.56 1.4716 10 0 4 2 63.29 4.69 1.4695 5 3 4 4 64.16 2.48 1.4516 10 4 1 4 64.39 3.19 1.4469 13 3 0 4 64.69 8.70 1.4409 5 1 5 4 64.79 1.06 1.4390 6 4 3 4 65.31 3.70 1.4287 2 2 5 4 65.64 3.90 1.4223 13 3 1 4 65.67 4.35 1.4218 3 5 2 4 65.79 9.65 1.4195 13 1 3 4 66.05 2.41 1.4146 16 0 0 2 66.81 2.49 1.4003 7 3 4 4 67.17 3.24 1.3936 14 2 2 4 68.17 3.22 1.3755 7 1 5 4 68.23 1.01 1.3746 0 4 4 2 68.57 5.78 1.3686 11 3 3 4 68.80 1.64 1.3646 2 4 4 4 68.84 2.02 1.3639 8 4 3 4 69.33 2.92 1.3554 13 3 2 4 70.50 2.83 1.3357 4 4 4 4 70.50 1.10 1.3357 12 4 1 4 70.64 1.24 1.3335 1 5 3 4 70.91 1.01 1.3290 1 3 5 4 71.39 6.43 1.3213 7 5 2 4 71.76 3.24 1.3154 3 5 3 4 72.05 1.39 1.3107 16 2 1 4 73.21 1.31 1.2929 14 2 3 4 73.26 1.23 1.2922 2 6 0 4 73.31 2.77 1.2913 0 0 6 1 73.83 3.31 1.2835 8 2 5 4 73.86 1.97 1.2830 2 0 6 2 73.88 2.34 1.2827 0 6 1 2 73.89 1.79 1.2826 10 4 3 4 74.28 1.96 1.2769 12 2 4 4 74.44 2.00 1.2746 2 6 1 4 76.63 2.30 1.2435 11 5 0 4 76.89 1.25 1.2399 11 3 4 4 77.11 1.55 1.2369 15 3 2 4 77.55 5.25 1.2310 7 3 5 4 77.93 1.39 1.2259 0 2 6 2 78.19 4.92 1.2225 11 1 5 4 78.25 1.09 1.2217 6 0 6 2 78.47 1.34 1.2188 2 2 6 4 78.81 1.96 1.2144 6 6 1 4 78.89 2.35 1.2134 0 4 5 2 79.57 1.71 1.2048 4 6 2 4 79.90 1.77 1.2006 12 4 3 4 80.21 2.10 1.1968 18 2 0 4 80.27 5.12 1.1960 18 0 2 2 81.16 1.72 1.1851 14 4 2 4 81.35 2.03 1.1828 18 2 1 4 81.39 2.03 1.1823 16 2 3 4 81.44 1.80 1.1818 8 6 0 4 82.03 1.11 1.1747 8 0 6 2 82.11 4.19 1.1738 5 5 4 4 82.79 1.22 1.1659 6 2 6 4 83.37 1.50 1.1592 13 3 4 4 83.69 1.87 1.1556 2 6 3 4 83.73 1.14 1.1551 6 4 5 4 84.64 1.53 1.1450 13 1 5 4 84.68 1.35 1.1446 12 2 5 4 84.78 3.56 1.1435 18 2 2 4 84.80 1.29 1.1433 3 3 6 4 84.88 1.55 1.1424 16 0 4 2 85.32 1.52 1.1376 7 5 4 4 85.88 1.32 1.1316 20 0 0 2 86.93 2.23 1.1207 5 3 6 4 87.67 4.51 1.1131 13 5 2 4 87.89 1.02 1.1109 12 4 4 4 89.83 2.18 1.0919 3 7 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.