Ba2 F3 O6 Y Mercier N, Leblanc M European Journal of Solid State and Inorganic Chemistry 28 (1991) 727-735 Synthesis and crystal structure of fluorocarbonates Ba2M(CO3)2F3 (M=Y,Gd) _cod_database_code 1000330 _database_code_amcsd 0012543 CELL PARAMETERS: 9.4580 6.9660 11.7870 90.000 90.000 90.000 SPACE GROUP: Pbcn X-RAY WAVELENGTH: 1.541838 Cell Volume: 776.580 Density (g/cm3): 4.623 MAX. ABS. INTENSITY / VOLUME**2: 59.03375862 RIR: 4.158 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.80 1.01 5.6089 1 1 0 4 17.51 1.76 5.0647 1 1 1 8 17.73 22.28 5.0019 1 0 2 4 18.76 6.58 4.7290 2 0 0 2 23.96 100.00 3.7134 2 1 1 8 24.13 2.51 3.6884 2 0 2 4 25.58 31.30 3.4830 0 2 0 2 27.36 4.32 3.2597 2 1 2 8 27.72 78.63 3.2180 1 1 3 8 28.34 1.08 3.1496 1 2 1 8 29.80 9.39 2.9985 0 2 2 4 31.14 1.17 2.8722 3 1 0 4 31.29 30.61 2.8583 1 2 2 8 31.81 21.19 2.8134 1 0 4 4 31.91 7.76 2.8044 2 2 0 4 32.07 15.91 2.7906 3 1 1 8 32.20 15.81 2.7799 3 0 2 4 32.29 2.23 2.7724 2 1 3 8 34.75 4.26 2.5819 3 1 2 8 35.45 7.47 2.5324 2 2 2 8 35.91 3.50 2.5009 2 0 4 4 38.06 5.33 2.3645 4 0 0 2 38.24 1.90 2.3538 2 1 4 8 38.84 3.54 2.3187 3 1 3 8 39.98 7.06 2.2550 1 3 0 4 41.13 21.08 2.1945 4 0 2 4 41.25 16.41 2.1886 1 2 4 8 41.55 1.71 2.1732 1 1 5 8 41.56 17.06 2.1727 3 2 2 8 41.97 10.08 2.1528 3 0 4 4 43.22 1.21 2.0931 4 1 2 8 44.03 1.41 2.0568 3 1 4 8 44.12 20.62 2.0525 2 3 1 8 44.60 3.60 2.0315 2 2 4 8 44.89 8.59 2.0192 2 1 5 8 46.21 11.62 1.9645 0 0 6 2 46.42 4.77 1.9563 4 2 0 4 46.43 28.93 1.9558 1 3 3 8 47.26 2.83 1.9234 1 0 6 4 49.07 16.81 1.8567 4 2 2 8 49.35 11.01 1.8465 3 3 1 8 49.42 4.69 1.8442 4 0 4 4 49.50 1.03 1.8413 2 3 3 8 49.79 12.45 1.8312 3 2 4 8 50.06 12.66 1.8222 3 1 5 8 50.29 3.37 1.8142 2 0 6 4 50.60 7.83 1.8040 5 1 1 8 50.68 2.12 1.8011 5 0 2 4 52.55 5.46 1.7415 0 4 0 2 53.56 11.03 1.7111 0 2 6 4 53.88 1.44 1.7017 2 3 4 8 55.51 1.78 1.6555 5 1 3 8 55.90 3.02 1.6447 1 4 2 8 56.46 2.93 1.6298 4 2 4 8 57.11 1.47 1.6127 1 1 7 8 57.26 1.35 1.6090 2 2 6 8 57.61 2.10 1.5999 5 2 2 8 57.92 1.24 1.5921 0 4 3 4 57.93 1.78 1.5918 5 0 4 4 59.17 3.05 1.5615 2 3 5 8 59.79 7.40 1.5467 2 1 7 8 60.75 6.57 1.5245 6 1 1 8 60.83 2.27 1.5228 6 0 2 4 61.35 1.88 1.5110 4 0 6 4 62.73 1.56 1.4813 1 3 6 8 62.75 2.72 1.4808 1 4 4 8 62.98 1.18 1.4758 3 4 2 8 63.51 6.24 1.4649 3 3 5 8 63.95 1.01 1.4558 1 0 8 4 63.97 3.49 1.4553 5 3 1 8 64.35 2.68 1.4478 5 2 4 8 64.57 5.59 1.4433 5 1 5 8 65.60 1.57 1.4232 5 3 2 8 66.70 1.86 1.4022 4 4 0 4 67.37 1.20 1.3900 6 0 4 4 67.58 2.15 1.3862 4 2 6 8 68.26 1.47 1.3740 5 3 3 8 68.82 4.23 1.3641 4 4 2 8 69.24 1.23 1.3570 0 2 8 4 69.41 2.43 1.3540 3 4 4 8 70.98 5.03 1.3279 2 5 1 8 71.66 1.48 1.3170 7 0 2 4 72.11 6.71 1.3098 2 3 7 8 72.54 3.22 1.3032 0 4 6 4 72.70 5.57 1.3006 1 5 3 8 72.98 4.32 1.2963 6 3 1 8 73.54 1.64 1.2878 6 1 5 8 74.38 3.46 1.2754 1 1 9 8 74.96 1.33 1.2669 3 5 1 8 75.01 1.24 1.2662 4 4 4 8 75.68 4.09 1.2567 7 1 3 8 76.02 1.09 1.2520 5 4 2 8 76.12 4.13 1.2505 4 0 8 4 76.50 4.72 1.2453 5 3 5 8 76.74 1.79 1.2419 2 1 9 8 77.48 2.31 1.2319 7 2 2 8 77.76 1.67 1.2282 7 0 4 4 81.40 1.34 1.1823 8 0 0 2 81.84 6.30 1.1769 4 2 8 8 82.01 1.31 1.1750 5 4 4 8 83.07 2.13 1.1626 2 5 5 8 83.45 2.67 1.1583 7 2 4 8 84.98 1.10 1.1413 4 4 6 8 84.99 1.53 1.1412 6 3 5 8 85.53 3.61 1.1354 6 1 7 8 85.80 2.91 1.1325 1 3 9 8 86.90 1.44 1.1210 3 5 5 8 87.04 3.39 1.1195 8 2 0 4 87.05 2.42 1.1194 7 3 3 8 87.31 1.20 1.1167 5 5 1 8 87.64 1.05 1.1134 0 6 3 4 88.09 1.20 1.1089 2 3 9 8 88.10 1.86 1.1088 1 2 10 8 88.57 1.39 1.1041 3 0 10 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.