Ba5 Cl Cu4 F17 Fompeyrine J, Nazabal V, Darriet J, Courbion G European Journal of Solid State and Inorganic Chemistry 32 (1995) 977-995 Ba5 Cu4 F17 Cl: a new copper chlorofluoride with chains structure. Structural and magnetic properties _cod_database_code 1000397 _database_code_amcsd 0012600 CELL PARAMETERS: 10.7310 10.7310 12.8030 90.000 90.000 120.000 SPACE GROUP: P-62m X-RAY WAVELENGTH: 1.541838 Cell Volume: 1276.800 Density (g/cm3): 5.068 MAX. ABS. INTENSITY / VOLUME**2: 51.06060041 RIR: 3.280 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 6.90 3.19 12.8030 0 0 1 2 9.52 4.08 9.2933 1 0 0 6 11.77 3.67 7.5209 1 0 1 12 13.83 2.47 6.4015 0 0 2 2 16.82 2.91 5.2718 1 0 2 12 17.92 3.00 4.9485 1 1 1 6 19.10 9.28 4.6467 2 0 0 6 20.33 5.39 4.3679 2 0 1 12 20.81 2.89 4.2677 0 0 3 2 21.61 15.29 4.1121 1 1 2 6 22.93 15.24 3.8783 1 0 3 12 23.66 2.28 3.7604 2 0 2 12 25.36 40.62 3.5125 2 1 0 6 26.31 12.06 3.3874 2 1 1 12 26.69 100.00 3.3400 1 1 3 6 27.87 14.27 3.2008 0 0 4 2 28.40 5.27 3.1432 2 0 3 12 28.82 63.61 3.0978 3 0 0 6 29.00 89.46 3.0794 2 1 2 12 29.52 1.05 3.0263 1 0 4 12 32.10 3.79 2.7884 3 0 2 12 32.57 16.47 2.7488 1 1 4 6 33.03 7.83 2.7121 2 1 3 12 33.40 7.09 2.6827 2 2 0 3 35.53 10.27 2.5268 3 1 1 12 35.82 4.55 2.5070 3 0 3 12 37.62 8.39 2.3910 3 1 2 12 38.03 2.00 2.3658 2 1 4 12 38.76 9.68 2.3233 4 0 0 6 38.97 6.96 2.3109 1 1 5 6 39.68 52.05 2.2713 2 2 3 6 40.53 2.74 2.2260 3 0 4 12 40.90 25.84 2.2063 3 1 3 12 42.36 19.43 2.1338 0 0 6 2 42.40 8.65 2.1320 3 2 0 6 43.01 1.82 2.1031 3 2 1 12 43.75 15.69 2.0692 2 1 5 12 44.40 22.41 2.0405 4 0 3 12 44.69 17.51 2.0280 4 1 0 6 44.81 20.05 2.0228 3 2 2 12 45.17 1.48 2.0075 3 1 4 12 45.76 4.88 1.9828 1 1 6 6 45.98 3.13 1.9736 3 0 5 12 46.85 5.93 1.9391 2 0 6 12 47.00 4.49 1.9333 4 1 2 12 47.68 1.40 1.9073 3 2 3 12 48.41 4.03 1.8802 4 0 4 12 49.01 4.91 1.8587 5 0 0 6 49.78 12.05 1.8317 4 1 3 12 49.86 1.85 1.8290 0 0 7 2 50.01 11.96 1.8237 2 1 6 12 50.22 6.20 1.8166 3 1 5 12 51.07 1.25 1.7885 3 3 0 3 51.50 1.56 1.7744 3 2 4 12 51.60 1.28 1.7713 3 3 1 6 52.04 8.87 1.7573 3 0 6 12 52.07 11.39 1.7563 4 2 0 6 52.60 1.11 1.7400 4 2 1 12 52.89 1.62 1.7312 1 1 7 6 53.17 9.60 1.7225 3 3 2 6 53.24 1.18 1.7206 4 0 5 12 53.80 3.15 1.7041 5 0 3 12 54.15 4.48 1.6937 4 2 2 12 54.98 4.89 1.6700 2 2 6 6 55.02 8.48 1.6691 5 1 0 6 55.73 6.27 1.6495 3 3 3 6 55.94 3.64 1.6437 3 1 6 12 56.14 4.40 1.6384 3 2 5 12 56.75 2.12 1.6223 2 1 7 12 57.02 5.47 1.6151 5 1 2 12 57.32 4.13 1.6073 5 0 4 12 58.61 2.61 1.5750 3 0 7 12 58.75 3.00 1.5716 4 0 6 12 59.18 1.52 1.5613 3 3 4 6 59.46 4.11 1.5545 5 1 3 12 60.09 2.52 1.5397 4 2 4 12 60.36 5.06 1.5336 1 1 8 6 61.48 8.33 1.5082 3 2 6 12 62.40 4.36 1.4881 5 2 0 6 62.78 1.17 1.4800 5 1 4 12 63.26 13.12 1.4700 4 1 6 12 63.44 1.80 1.4663 3 3 5 6 63.92 6.25 1.4563 2 1 8 12 63.94 6.40 1.4560 6 0 3 12 64.26 3.58 1.4495 5 2 2 12 64.32 2.23 1.4483 4 2 5 12 64.82 3.89 1.4384 4 3 3 12 64.88 1.72 1.4371 4 0 7 12 65.91 6.48 1.4172 6 1 0 6 66.55 7.04 1.4051 5 2 3 12 66.92 3.77 1.3983 5 1 5 12 68.20 2.60 1.3750 1 1 9 6 68.45 2.74 1.3707 3 3 6 6 69.29 2.57 1.3560 4 2 6 12 70.16 6.53 1.3414 4 4 0 3 71.00 1.83 1.3276 7 0 0 6 71.80 2.70 1.3147 5 1 6 12 72.75 1.24 1.3000 7 0 2 12 73.01 2.76 1.2959 6 1 4 12 73.22 2.56 1.2928 3 0 9 12 73.48 3.77 1.2888 6 2 0 6 74.07 6.01 1.2799 3 2 8 12 74.91 4.32 1.2677 7 0 3 12 74.91 1.83 1.2677 5 3 3 12 75.67 3.50 1.2568 2 2 9 6 76.48 2.64 1.2455 3 1 9 12 76.49 1.28 1.2453 1 1 10 6 76.88 1.02 1.2400 6 1 5 12 77.35 1.21 1.2337 6 2 3 12 77.41 2.57 1.2329 5 1 7 12 77.55 3.66 1.2309 7 1 0 6 78.33 1.67 1.2206 5 2 6 12 78.91 1.00 1.2132 4 0 9 12 78.94 1.32 1.2128 5 0 8 12 80.54 1.81 1.1926 3 3 8 6 81.36 1.89 1.1827 7 1 3 12 81.54 2.20 1.1806 6 1 6 12 82.90 2.22 1.1646 4 1 9 12 83.16 1.18 1.1617 8 0 0 6 83.73 2.60 1.1552 5 1 8 12 84.03 1.46 1.1517 6 3 2 12 84.49 1.10 1.1466 3 1 10 12 85.34 1.30 1.1375 1 1 11 6 85.51 7.80 1.1356 4 4 6 6 86.12 2.63 1.1291 6 3 3 12 86.87 2.85 1.1213 4 0 10 12 86.91 1.78 1.1209 8 0 3 12 87.65 1.59 1.1133 3 3 9 6 88.67 3.39 1.1032 6 2 6 12 89.82 1.16 1.0920 8 0 4 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.