BaCu(CO3)F2 Mercier N, Leblanc M European Journal of Solid State and Inorganic Chemistry 30 (1993) 217-225 Existence of 3d transition metal fluorocarbonates: synthesis, characterization of BaM(CO3)F2 (M=Mn,Cu) and crystal structure of BaCu(CO3)F2 _cod_database_code 1000321 _database_code_amcsd 0012567 CELL PARAMETERS: 4.8890 8.5390 9.5880 90.000 90.000 90.000 SPACE GROUP: Cmcm X-RAY WAVELENGTH: 1.541838 Cell Volume: 400.272 Density (g/cm3): 4.959 MAX. ABS. INTENSITY / VOLUME**2: 76.06884023 RIR: 4.995 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 18.51 2.01 4.7940 0 0 2 2 20.81 10.61 4.2695 0 2 0 2 20.94 18.87 4.2428 1 1 0 4 22.80 6.95 3.9003 0 2 1 4 22.92 13.83 3.8799 1 1 1 8 27.98 49.55 3.1884 0 2 2 4 28.08 100.00 3.1772 1 1 2 8 36.53 49.79 2.4598 1 3 0 4 36.77 29.56 2.4445 2 0 0 2 37.52 33.30 2.3970 0 0 4 2 41.25 14.87 2.1885 1 3 2 8 41.46 4.58 2.1777 2 0 2 4 42.34 1.01 2.1347 0 4 0 2 42.62 2.56 2.1214 2 2 0 4 43.29 4.38 2.0901 0 2 4 4 43.36 8.21 2.0870 1 1 4 8 43.43 4.52 2.0837 0 4 1 4 43.70 8.77 2.0713 2 2 1 8 46.57 13.18 1.9501 0 4 2 4 46.83 24.66 1.9399 2 2 2 8 51.72 1.75 1.7675 2 2 3 8 52.30 1.56 1.7493 0 2 5 4 52.36 3.06 1.7474 1 1 5 8 53.37 23.07 1.7167 1 3 4 8 53.54 13.79 1.7115 2 0 4 4 57.13 2.04 1.6123 1 5 0 4 57.30 1.61 1.6079 2 4 0 4 57.58 1.55 1.6008 3 1 0 4 57.84 1.24 1.5942 0 4 4 4 58.01 2.44 1.5899 1 5 1 8 58.06 2.86 1.5886 2 2 4 8 58.17 2.42 1.5858 2 4 1 8 58.45 1.06 1.5789 3 1 1 8 60.59 7.71 1.5282 1 5 2 8 60.76 8.22 1.5245 2 4 2 8 61.03 8.35 1.5184 3 1 2 8 62.01 5.37 1.4966 0 2 6 4 62.06 11.03 1.4954 1 1 6 8 65.42 1.48 1.4266 0 4 5 4 65.60 4.35 1.4232 0 6 0 2 65.63 2.97 1.4226 2 2 5 8 66.06 8.29 1.4143 3 3 0 4 69.27 1.38 1.3565 3 3 2 8 70.38 2.49 1.3378 1 5 4 8 70.53 2.11 1.3353 2 4 4 8 70.78 2.04 1.3312 3 1 4 8 74.12 3.35 1.2793 0 4 6 4 74.31 6.21 1.2764 2 2 6 8 77.32 1.30 1.2340 1 5 5 8 77.47 1.25 1.2321 2 4 5 8 77.63 4.70 1.2299 2 6 0 4 78.10 3.94 1.2237 0 6 4 4 78.21 2.15 1.2222 4 0 0 2 78.53 7.57 1.2181 3 3 4 8 80.07 1.82 1.1985 0 0 8 2 83.89 1.42 1.1534 1 1 8 8 84.27 3.33 1.1491 1 7 2 8 84.65 2.59 1.1449 3 5 2 8 84.99 3.65 1.1413 4 2 2 8 85.57 3.15 1.1350 1 5 6 8 85.71 3.46 1.1335 2 4 6 8 85.95 3.47 1.1309 3 1 6 8 89.58 5.18 1.0943 2 6 4 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.