Ba5 F20 H Nb3 O3 Crosnier-Lopez M, Duroy H, Fourquet J Journal of Solid State Chemistry 107 (1993) 211-217 Ba5Nb3O3F18(HF2): synthesis and crystal structure _cod_database_code 1000353 _database_code_amcsd 0013785 CELL PARAMETERS: 11.9350 11.9350 7.8520 90.000 90.000 120.000 SPACE GROUP: P6_3/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 968.625 Density (g/cm3): 4.777 MAX. ABS. INTENSITY / VOLUME**2: 49.26751471 RIR: 3.359 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.17 4.76 6.2524 1 0 1 12 17.16 10.87 5.1680 2 0 0 6 18.68 2.44 4.7511 1 1 1 12 20.57 1.95 4.3169 2 0 1 12 22.65 55.00 3.9260 0 0 2 2 22.76 20.70 3.9066 1 2 0 6 22.76 50.50 3.9066 2 1 0 6 24.25 36.85 3.6702 1 0 2 12 25.47 99.98 3.4977 1 2 1 12 25.86 74.31 3.4453 3 0 0 6 27.19 20.27 3.2798 1 1 2 12 28.29 1.14 3.1550 3 0 1 12 28.55 4.01 3.1262 2 0 2 12 29.95 1.29 2.9838 2 2 0 6 31.20 2.34 2.8667 3 1 0 6 32.09 6.99 2.7892 2 2 1 12 32.33 23.81 2.7692 1 2 2 12 32.33 3.11 2.7692 2 1 2 12 33.27 11.31 2.6928 1 3 1 12 34.64 12.17 2.5896 3 0 2 12 36.61 5.48 2.4545 4 0 1 12 37.87 6.27 2.3756 2 2 2 12 37.94 5.05 2.3712 2 3 0 6 37.94 4.80 2.3712 3 2 0 6 38.56 2.35 2.3350 2 0 3 12 38.90 11.37 2.3152 1 3 2 12 38.90 12.52 2.3152 3 1 2 12 39.71 1.52 2.2700 3 2 1 12 39.97 1.15 2.2555 1 4 0 6 39.97 43.63 2.2555 4 1 0 6 41.53 50.44 2.1744 1 2 3 12 41.66 6.28 2.1678 1 4 1 12 41.66 1.51 2.1678 4 1 1 12 41.85 19.89 2.1584 4 0 2 12 43.42 2.87 2.0841 3 0 3 12 44.64 23.55 2.0297 3 2 2 12 45.37 8.87 1.9991 5 0 1 12 45.61 1.49 1.9892 3 3 0 6 46.13 5.51 1.9676 2 2 3 12 46.25 17.94 1.9630 0 0 4 2 46.43 3.03 1.9557 4 1 2 12 46.49 2.04 1.9533 4 2 0 6 47.01 6.64 1.9329 1 3 3 12 47.13 6.51 1.9283 3 3 1 12 48.00 5.31 1.8956 2 4 1 12 48.00 20.29 1.8956 4 2 1 12 49.07 1.04 1.8564 5 1 0 6 49.57 1.49 1.8388 4 0 3 12 49.85 6.88 1.8291 5 0 2 12 50.52 8.68 1.8066 1 5 1 12 52.15 7.67 1.7540 2 1 4 12 52.31 7.14 1.7488 4 2 2 12 53.64 5.13 1.7086 1 4 3 12 53.74 15.78 1.7056 3 0 4 12 53.96 3.35 1.6992 3 4 0 6 54.54 1.45 1.6826 6 0 1 12 54.69 5.60 1.6782 1 5 2 12 55.32 2.18 1.6608 4 3 1 12 55.52 4.17 1.6551 2 5 0 6 56.75 3.44 1.6222 5 0 3 12 56.85 1.57 1.6197 3 1 4 12 56.85 1.60 1.6195 2 5 1 12 56.85 4.86 1.6195 5 2 1 12 58.26 4.43 1.5837 3 3 3 12 58.56 1.68 1.5762 1 6 0 6 58.56 2.80 1.5762 6 1 0 6 59.01 7.13 1.5654 2 4 3 12 59.01 7.59 1.5654 4 2 3 12 59.85 5.11 1.5454 1 6 1 12 59.85 1.76 1.5454 6 1 1 12 61.21 5.61 1.5142 1 5 3 12 61.31 2.20 1.5121 2 3 4 12 62.23 2.81 1.4919 4 4 0 6 62.75 8.22 1.4807 4 1 4 12 63.89 9.16 1.4571 1 2 5 12 64.18 5.38 1.4511 3 5 1 12 64.79 1.44 1.4390 6 0 3 12 65.07 1.52 1.4333 6 2 0 6 65.49 1.84 1.4252 4 3 3 12 66.89 3.65 1.3989 5 2 3 12 67.39 1.07 1.3897 2 2 5 12 67.67 1.46 1.3846 2 4 4 12 67.81 1.05 1.3821 7 0 2 12 67.81 2.68 1.3821 5 3 2 12 67.81 8.27 1.3821 3 5 2 12 68.08 1.75 1.3773 1 3 5 12 68.54 4.51 1.3690 7 1 0 6 69.63 4.36 1.3503 1 6 3 12 69.63 1.50 1.3503 6 1 3 12 69.72 1.54 1.3488 5 1 4 12 69.86 2.71 1.3464 2 6 2 12 72.18 2.29 1.3087 0 0 6 2 72.42 1.19 1.3050 5 4 1 12 72.60 2.18 1.3022 3 6 0 6 72.85 1.75 1.2983 1 0 6 12 73.22 1.08 1.2927 7 1 2 12 73.48 1.00 1.2888 1 4 5 12 73.66 1.84 1.2860 7 0 3 12 73.66 3.04 1.2860 3 5 3 12 73.75 1.71 1.2847 3 4 4 12 73.75 1.71 1.2847 6 3 1 12 74.42 1.85 1.2749 8 0 1 12 75.07 2.59 1.2653 2 5 4 12 75.87 2.87 1.2541 4 5 2 12 76.12 1.42 1.2505 5 0 5 12 76.39 3.47 1.2467 2 7 1 12 76.82 2.82 1.2409 1 2 6 12 77.43 1.40 1.2326 3 3 5 12 77.70 1.38 1.2290 1 6 4 12 77.70 1.29 1.2290 6 1 4 12 77.83 2.93 1.2273 8 0 2 12 78.08 1.96 1.2239 2 4 5 12 78.08 3.83 1.2239 4 2 5 12 78.12 1.01 1.2234 3 0 6 12 79.78 2.62 1.2021 7 2 2 12 80.03 2.30 1.1989 1 5 5 12 80.94 2.47 1.1878 4 4 4 12 82.65 2.09 1.1675 4 0 6 12 83.43 1.02 1.1585 8 0 3 12 83.51 1.25 1.1576 6 2 4 12 83.65 2.82 1.1561 8 1 2 12 84.57 3.10 1.1458 3 2 6 12 85.18 1.43 1.1392 5 2 5 12 85.35 1.85 1.1373 2 7 3 12 85.85 1.21 1.1319 4 1 6 12 86.71 4.23 1.1229 7 1 4 12 87.73 1.66 1.1125 1 6 5 12 88.41 1.41 1.1057 5 0 6 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.