BaZr2F10*2H2O Gao Y, Guery J, Le Bail A, Jacoboni C Journal of Solid State Chemistry 98 (1992) 11-24 Synthesis,X-ray single-crystal structure determination and dehydration study of BaZr2F10*2H2O by X-ray powder thermodiffractometry _cod_database_code 1000108 _database_code_amcsd 0013734 CELL PARAMETERS: 7.8974 7.9076 14.7227 90.000 90.000 90.000 SPACE GROUP: Pnam X-RAY WAVELENGTH: 1.541838 Cell Volume: 919.425 Density (g/cm3): 3.913 MAX. ABS. INTENSITY / VOLUME**2: 26.69126566 RIR: 2.221 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.02 60.65 7.3614 0 0 2 2 12.71 32.40 6.9664 0 1 1 4 15.86 95.53 5.5879 1 1 0 4 16.97 38.34 5.2243 1 1 1 8 19.95 1.67 4.4508 1 1 2 8 21.31 10.48 4.1698 0 1 3 4 22.49 1.88 3.9538 0 2 0 2 22.52 14.26 3.9487 2 0 0 2 23.32 22.87 3.8139 2 0 1 4 24.14 13.17 3.6874 1 1 3 8 24.18 87.98 3.6807 0 0 4 2 25.19 6.45 3.5355 1 2 0 4 25.21 7.32 3.5327 2 1 0 4 25.57 28.61 3.4832 0 2 2 4 25.60 9.77 3.4797 2 0 2 4 25.92 11.95 3.4377 1 2 1 8 28.00 100.00 3.1870 1 2 2 8 28.02 83.27 3.1850 2 1 2 8 29.02 12.51 3.0765 2 0 3 4 29.05 14.09 3.0738 1 1 4 8 31.18 6.52 2.8686 1 2 3 8 32.03 7.67 2.7940 2 2 0 4 32.45 1.81 2.7594 0 1 5 4 32.62 5.45 2.7450 2 2 1 8 34.43 2.08 2.6050 1 1 5 8 34.57 6.98 2.5946 0 3 1 4 35.92 2.22 2.5003 1 3 0 4 35.96 12.41 2.4977 3 1 0 4 36.49 6.16 2.4625 3 1 1 8 36.62 1.75 2.4538 0 0 6 2 37.02 1.29 2.4280 2 2 3 8 38.04 1.67 2.3653 3 1 2 8 38.12 8.89 2.3605 2 0 5 4 38.78 9.65 2.3221 0 3 3 4 39.84 4.63 2.2626 1 2 5 8 40.14 4.98 2.2467 1 1 6 8 40.53 4.25 2.2260 3 1 3 8 40.54 2.60 2.2254 2 2 4 8 41.18 4.99 2.1923 2 3 0 4 41.20 2.50 2.1912 3 2 0 4 41.65 1.58 2.1684 2 3 1 8 41.67 3.34 2.1673 3 2 1 8 43.05 21.85 2.1011 2 3 2 8 43.07 9.86 2.1001 3 2 2 8 43.40 14.44 2.0849 0 2 6 4 43.42 7.44 2.0842 2 0 6 4 43.77 6.09 2.0682 1 3 4 8 43.80 20.29 2.0668 3 1 4 8 44.58 2.75 2.0326 0 1 7 4 44.71 1.23 2.0268 2 2 5 8 44.97 30.52 2.0158 1 2 6 8 44.98 23.15 2.0153 2 1 6 8 45.32 3.54 2.0008 3 2 3 8 45.90 2.08 1.9769 0 4 0 2 45.97 1.67 1.9743 4 0 0 2 46.11 3.66 1.9684 1 1 7 8 46.23 4.39 1.9639 0 3 5 4 47.41 22.08 1.9177 1 4 0 4 47.46 12.64 1.9155 4 1 0 4 47.75 5.08 1.9047 3 1 5 8 47.83 1.58 1.9017 1 4 1 8 47.89 2.08 1.8995 4 1 1 8 48.32 2.83 1.8835 2 3 4 8 48.90 15.88 1.8626 3 3 0 4 49.08 1.81 1.8563 2 0 7 4 49.09 4.15 1.8558 1 4 2 8 49.15 14.24 1.8538 4 1 2 8 49.53 19.07 1.8403 0 0 8 2 50.49 2.16 1.8076 1 2 7 8 50.55 17.70 1.8057 3 3 2 8 51.19 1.29 1.7844 4 1 3 8 51.71 1.47 1.7677 2 4 0 4 52.02 1.96 1.7579 3 2 5 8 52.11 2.66 1.7551 2 4 1 8 52.23 3.24 1.7513 1 3 6 8 52.34 3.13 1.7480 1 1 8 8 52.55 7.92 1.7416 0 4 4 4 52.60 10.88 1.7398 4 0 4 4 53.30 2.39 1.7189 2 4 2 8 53.34 5.07 1.7176 4 2 2 8 53.91 13.47 1.7007 1 4 4 8 53.96 6.00 1.6992 4 1 4 8 55.04 1.73 1.6685 0 2 8 4 55.05 4.00 1.6681 2 0 8 4 55.23 1.14 1.6631 2 4 3 8 55.27 9.31 1.6619 3 3 4 8 55.93 2.16 1.6440 0 3 7 4 56.27 7.90 1.6348 2 3 6 8 56.29 2.95 1.6344 3 2 6 8 56.36 1.52 1.6324 1 2 8 8 56.37 1.44 1.6322 2 1 8 8 57.34 1.14 1.6070 1 4 5 8 57.87 1.30 1.5935 2 4 4 8 58.74 1.11 1.5718 3 4 1 8 58.77 3.08 1.5712 4 3 1 8 59.84 1.02 1.5456 3 4 2 8 61.07 3.07 1.5174 1 5 2 8 61.07 1.01 1.5174 3 2 7 8 61.14 3.40 1.5157 5 1 2 8 61.34 1.76 1.5113 2 0 9 4 61.35 2.34 1.5110 1 4 6 8 61.40 7.12 1.5099 4 1 6 8 61.66 2.22 1.5042 4 3 3 8 62.61 5.34 1.4836 3 3 6 8 62.68 2.74 1.4821 1 3 8 8 62.71 7.63 1.4816 3 1 8 8 62.85 1.29 1.4787 1 5 3 8 63.35 2.97 1.4681 2 5 0 4 63.77 1.85 1.4595 5 2 1 8 64.11 1.85 1.4525 3 4 4 8 64.75 1.94 1.4398 2 5 2 8 64.81 8.73 1.4385 5 2 2 8 65.29 1.31 1.4291 1 5 4 8 66.31 2.04 1.4095 2 3 8 8 66.33 1.07 1.4092 3 2 8 8 66.54 1.57 1.4053 5 2 3 8 66.99 2.22 1.3970 4 4 0 4 67.24 1.85 1.3924 4 3 5 8 67.94 1.37 1.3797 0 2 10 4 68.85 5.17 1.3637 2 5 4 8 69.11 6.29 1.3591 1 2 10 8 69.12 5.00 1.3590 2 1 10 8 69.65 1.14 1.3500 3 5 1 8 69.82 2.25 1.3470 0 4 8 4 69.87 2.57 1.3462 4 0 8 4 70.65 3.81 1.3333 3 5 2 8 70.70 1.30 1.3325 5 3 2 8 70.98 9.04 1.3278 1 4 8 8 71.03 5.39 1.3271 4 1 8 8 71.71 1.11 1.3162 6 0 0 2 72.16 5.28 1.3091 3 3 8 8 72.35 1.69 1.3061 4 4 4 8 72.92 5.66 1.2973 0 6 2 4 73.02 1.91 1.2957 6 0 2 4 75.21 1.20 1.2634 4 3 7 8 75.46 1.26 1.2599 2 5 6 8 75.52 4.83 1.2590 5 2 6 8 76.93 1.54 1.2394 6 0 4 4 77.33 1.16 1.2340 5 4 0 4 77.86 2.73 1.2269 0 0 12 2 78.21 2.36 1.2222 2 3 10 8 78.22 1.11 1.2220 3 2 10 8 78.59 1.48 1.2173 4 5 2 8 79.04 1.39 1.2115 2 6 3 8 80.08 1.86 1.1983 1 1 12 8 81.03 3.80 1.1866 3 5 6 8 81.08 1.91 1.1861 5 3 6 8 82.41 1.50 1.1703 4 5 4 8 82.43 3.05 1.1700 5 4 4 8 82.66 2.02 1.1673 4 1 10 8 83.21 3.10 1.1611 0 6 6 4 83.74 2.79 1.1550 3 3 10 8 84.13 1.05 1.1507 2 6 5 8 84.40 2.54 1.1477 2 5 8 8 85.42 1.31 1.1365 4 3 9 8 86.84 2.11 1.1216 6 3 4 8 87.23 1.28 1.1176 5 5 0 4 87.71 1.01 1.1127 4 4 8 8 88.42 1.56 1.1056 1 7 2 8 88.71 1.23 1.1027 4 5 6 8 88.86 1.32 1.1012 3 1 12 8 89.91 1.14 1.0911 5 3 8 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.