Ba2 F3 Gd O6 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 1000331 _database_code_amcsd 0012544 CELL PARAMETERS: 9.5130 6.9780 11.8640 90.000 90.000 90.000 SPACE GROUP: Pbcn X-RAY WAVELENGTH: 1.541838 Cell Volume: 787.553 Density (g/cm3): 5.135 MAX. ABS. INTENSITY / VOLUME**2: 73.70260810 RIR: 4.674 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.93 1.87 5.9320 0 0 2 2 15.75 1.65 5.6266 1 1 0 4 17.44 21.92 5.0838 1 1 1 8 17.62 17.01 5.0336 1 0 2 4 18.65 15.86 4.7565 2 0 0 2 23.85 78.71 3.7309 2 1 1 8 23.98 10.24 3.7109 2 0 2 4 25.53 36.67 3.4890 0 2 0 2 27.22 3.24 3.2764 2 1 2 8 27.57 100.00 3.2354 1 1 3 8 29.71 1.87 3.0074 0 2 2 4 30.98 1.33 2.8869 3 1 0 4 31.19 24.02 2.8675 1 2 2 8 31.60 16.36 2.8316 1 0 4 4 31.81 14.14 2.8133 2 2 0 4 31.90 28.24 2.8050 3 1 1 8 32.00 12.63 2.7965 3 0 2 4 32.11 1.56 2.7877 2 1 3 8 34.17 1.14 2.6238 1 1 4 8 34.55 4.28 2.5958 3 1 2 8 35.31 15.63 2.5419 2 2 2 8 35.67 7.73 2.5168 2 0 4 4 37.83 1.69 2.3782 4 0 0 2 38.01 1.35 2.3675 2 1 4 8 39.89 2.01 2.2598 0 2 4 4 39.90 7.36 2.2594 1 3 0 4 40.65 1.15 2.2195 1 3 1 8 40.88 25.05 2.2074 4 0 2 4 41.05 12.75 2.1986 1 2 4 8 41.38 13.41 2.1821 3 2 2 8 41.70 8.22 2.1661 3 0 4 4 43.76 1.52 2.0687 3 1 4 8 44.00 16.16 2.0579 2 3 1 8 44.38 7.80 2.0411 2 2 4 8 44.61 7.06 2.0313 2 1 5 8 45.89 12.93 1.9773 0 0 6 2 46.20 1.49 1.9651 4 2 0 4 46.28 33.11 1.9618 1 3 3 8 46.93 2.37 1.9360 1 0 6 4 48.82 20.73 1.8654 4 2 2 8 49.10 6.80 1.8554 4 0 4 4 49.18 14.15 1.8525 3 3 1 8 49.53 9.79 1.8403 3 2 4 8 49.74 16.39 1.8331 3 1 5 8 49.95 5.20 1.8258 2 0 6 4 50.30 11.68 1.8140 5 1 1 8 50.37 1.65 1.8117 5 0 2 4 52.45 5.94 1.7445 0 4 0 2 53.25 12.44 1.7203 0 2 6 4 55.77 2.38 1.6483 1 4 2 8 56.15 5.24 1.6382 4 2 4 8 56.16 1.22 1.6378 2 4 0 4 56.72 3.27 1.6228 1 1 7 8 56.74 1.20 1.6224 2 4 1 8 56.92 3.23 1.6177 2 2 6 8 57.30 1.57 1.6079 5 2 2 8 57.55 1.36 1.6014 5 0 4 4 57.76 1.48 1.5961 0 4 3 4 58.20 1.02 1.5852 3 3 4 8 58.46 1.19 1.5788 2 4 2 8 58.89 2.45 1.5682 2 3 5 8 59.39 5.78 1.5563 2 1 7 8 60.38 5.01 1.5331 6 1 1 8 60.44 3.38 1.5317 6 0 2 4 62.41 1.88 1.4880 1 3 6 8 62.54 2.11 1.4852 1 4 4 8 63.19 7.69 1.4714 3 3 5 8 63.67 1.87 1.4616 3 1 7 8 63.67 5.05 1.4615 5 3 1 8 63.97 2.00 1.4554 5 2 4 8 64.14 7.41 1.4519 5 1 5 8 65.28 1.91 1.4293 5 3 2 8 66.69 2.08 1.4025 6 2 2 8 66.92 1.92 1.3983 6 0 4 4 66.99 1.01 1.3969 4 4 1 8 68.56 5.18 1.3687 4 4 2 8 69.14 1.89 1.3587 3 4 4 8 69.31 1.43 1.3558 1 3 7 8 70.81 3.98 1.3307 2 5 1 8 71.18 1.18 1.3247 7 0 2 4 71.70 5.21 1.3163 2 3 7 8 72.22 3.54 1.3082 0 4 6 4 72.51 6.14 1.3036 1 5 3 8 72.60 3.37 1.3022 6 3 1 8 72.88 1.08 1.2979 6 2 4 8 73.04 1.25 1.2954 6 1 5 8 73.83 4.71 1.2835 1 1 9 8 74.68 1.97 1.2710 4 4 4 8 74.75 1.94 1.2700 3 5 1 8 75.17 4.99 1.2640 7 1 3 8 75.56 4.61 1.2584 4 0 8 4 75.62 1.51 1.2575 3 3 7 8 76.06 5.55 1.2513 5 3 5 8 76.17 1.25 1.2498 2 1 9 8 76.25 1.09 1.2487 3 5 2 8 76.50 1.12 1.2452 5 1 7 8 77.00 1.82 1.2384 7 2 2 8 77.21 1.35 1.2355 7 0 4 4 80.83 1.53 1.1891 8 0 0 2 81.27 6.92 1.1837 4 2 8 8 82.76 1.63 1.1662 2 5 5 8 82.90 2.09 1.1646 7 2 4 8 84.47 1.22 1.1469 6 3 5 8 84.90 2.71 1.1422 6 1 7 8 85.23 3.53 1.1386 1 3 9 8 86.46 3.60 1.1255 8 2 0 4 86.52 2.88 1.1249 7 3 3 8 86.54 1.84 1.1247 3 5 5 8 86.97 1.63 1.1203 5 5 1 8 87.41 1.19 1.1158 0 6 3 4 87.44 1.44 1.1155 1 2 10 8 87.86 1.08 1.1112 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.