Ba Cu F2 O3 Leblanc M, Mercier N, Attfield J European Journal of Solid State and Inorganic Chemistry 32 (1995) 535-538 Revision of the structure of Ba Cu (C O3) F2 by neutron diffraction _cod_database_code 1000394 _database_code_amcsd 0012598 CELL PARAMETERS: 4.8866 8.5310 9.5820 90.000 90.000 90.000 SPACE GROUP: Pbcm X-RAY WAVELENGTH: 1.541838 Cell Volume: 399.450 Density (g/cm3): 4.969 MAX. ABS. INTENSITY / VOLUME**2: 73.98395876 RIR: 4.848 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 18.52 2.00 4.7910 0 0 2 2 20.82 10.92 4.2655 0 2 0 2 20.95 17.68 4.2402 1 1 0 4 22.82 7.29 3.8968 0 2 1 4 22.94 13.76 3.8775 1 1 1 8 26.05 1.09 3.4210 1 0 2 4 27.76 2.05 3.2135 1 2 0 4 28.01 49.78 3.1858 0 2 2 4 28.10 100.00 3.1753 1 1 2 8 36.56 49.80 2.4578 1 3 0 4 36.78 28.77 2.4433 2 0 0 2 37.55 33.63 2.3955 0 0 4 2 41.28 14.03 2.1868 1 3 2 8 41.49 3.73 2.1766 2 0 2 4 42.65 2.05 2.1201 2 2 0 4 42.88 3.56 2.1090 2 1 2 8 43.32 4.22 2.0887 0 2 4 4 43.39 7.37 2.0857 1 1 4 8 43.47 4.50 2.0818 0 4 1 4 43.73 8.91 2.0701 2 2 1 8 46.61 13.01 1.9484 0 4 2 4 46.86 22.34 1.9388 2 2 2 8 51.75 1.71 1.7664 2 2 3 8 52.34 1.63 1.7481 0 2 5 4 52.39 3.09 1.7463 1 1 5 8 52.98 1.28 1.7284 2 3 2 8 53.41 22.41 1.7155 1 3 4 8 53.58 13.00 1.7105 2 0 4 4 57.19 1.85 1.6108 1 5 0 4 57.35 1.18 1.6067 2 4 0 4 57.89 1.04 1.5929 0 4 4 4 58.06 2.48 1.5885 1 5 1 8 58.10 2.24 1.5876 2 2 4 8 58.22 2.40 1.5846 2 4 1 8 58.48 1.04 1.5781 3 1 1 8 60.65 7.01 1.5268 1 5 2 8 60.80 7.23 1.5233 2 4 2 8 61.06 6.68 1.5176 3 1 2 8 62.06 5.09 1.4956 0 2 6 4 62.11 10.46 1.4945 1 1 6 8 65.48 1.47 1.4255 0 4 5 4 65.67 4.24 1.4218 0 6 0 2 65.68 3.02 1.4217 2 2 5 8 66.11 7.22 1.4134 3 3 0 4 70.44 2.16 1.3367 1 5 4 8 70.58 1.56 1.3344 2 4 4 8 70.82 1.29 1.3305 3 1 4 8 74.18 3.16 1.2783 0 4 6 4 74.37 5.37 1.2756 2 2 6 8 77.39 1.33 1.2331 1 5 5 8 77.53 1.25 1.2312 2 4 5 8 77.71 4.29 1.2289 2 6 0 4 78.18 3.72 1.2227 0 6 4 4 78.25 1.70 1.2217 4 0 0 2 78.59 6.31 1.2173 3 3 4 8 80.13 1.67 1.1977 0 0 8 2 83.95 1.14 1.1526 1 1 8 8 84.37 2.93 1.1480 1 7 2 8 84.73 1.87 1.1441 3 5 2 8 85.04 2.49 1.1407 4 2 2 8 85.65 2.72 1.1341 1 5 6 8 85.78 2.95 1.1327 2 4 6 8 86.01 2.69 1.1303 3 1 6 8 89.67 4.55 1.0934 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.