Ba10 Cu12 F47 Fe Renaudin J, Ferey G, de Kozak A, Samouel M, Gredin P European Journal of Solid State and Inorganic Chemistry 30 (1993) 401-411 Complex copper(II) fluorides: XIV. The average crystal structure ofBa10Cu12FeF47 _cod_database_code 1000323 _database_code_amcsd 0012571 CELL PARAMETERS: 15.4470 11.6380 11.8090 90.000 109.920 90.000 SPACE GROUP: C2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 1995.913 Density (g/cm3): 5.100 MAX. ABS. INTENSITY / VOLUME**2: 29.74200650 RIR: 1.899 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 7.96 2.14 11.1025 0 0 1 2 15.23 1.55 5.8190 0 2 0 2 16.71 2.25 5.3052 2 0 1 2 19.48 1.08 4.5568 -2 2 1 4 19.55 1.38 4.5409 2 2 0 4 21.24 1.03 4.1831 -3 1 2 4 22.68 2.82 3.9204 2 2 1 4 22.96 29.73 3.8743 -2 0 3 2 23.03 28.99 3.8613 -4 0 1 2 23.25 24.44 3.8258 2 0 2 2 23.68 1.04 3.7570 3 1 1 4 23.74 1.17 3.7479 1 3 0 4 24.52 2.52 3.6307 4 0 0 2 25.75 66.06 3.4600 1 3 1 4 25.98 10.07 3.4293 -3 1 3 4 27.66 86.64 3.2249 -2 2 3 4 27.73 76.66 3.2174 -4 2 1 4 27.91 100.00 3.1968 2 2 2 4 28.35 2.10 3.1485 4 0 1 2 28.80 11.96 3.1003 -4 2 2 4 28.87 1.08 3.0926 -3 3 1 4 29.33 5.97 3.0448 3 1 2 4 29.92 1.09 2.9868 1 3 2 4 30.03 22.17 2.9762 -5 1 1 4 30.30 5.15 2.9494 -2 0 4 2 30.46 4.40 2.9348 -5 1 2 4 30.47 20.79 2.9334 -3 3 2 4 30.62 2.13 2.9193 2 0 3 2 30.73 48.21 2.9095 0 4 0 2 31.64 29.10 2.8282 -1 1 4 4 31.75 22.48 2.8181 5 1 0 4 31.79 2.10 2.8145 0 4 1 4 32.98 1.30 2.7162 -5 1 3 4 34.03 2.14 2.6343 -3 3 3 4 34.08 1.46 2.6307 -2 2 4 4 36.72 1.20 2.4476 3 3 2 4 36.80 3.24 2.4424 -6 0 3 2 37.14 1.25 2.4205 6 0 0 2 38.40 1.44 2.3443 -6 2 2 4 38.51 1.12 2.3378 -6 2 1 4 38.63 16.84 2.3307 -1 3 4 4 38.70 12.36 2.3265 -2 4 3 4 38.73 14.31 2.3251 5 3 0 4 38.75 12.37 2.3237 -4 4 1 4 38.89 6.65 2.3159 2 4 2 4 40.24 39.60 2.2413 -6 0 4 2 40.29 9.54 2.2384 4 0 3 2 40.36 6.20 2.2348 6 2 0 4 40.51 14.96 2.2268 1 5 1 4 40.63 20.71 2.2205 0 0 5 2 40.77 16.87 2.2132 6 0 1 2 41.68 1.08 2.1668 -7 1 2 4 41.81 2.57 2.1606 5 3 1 4 42.41 6.31 2.1312 3 3 3 4 42.67 1.20 2.1191 -3 5 1 4 43.26 7.68 2.0915 -6 2 4 4 43.63 16.67 2.0746 0 2 5 4 43.70 3.78 2.0713 -2 4 4 4 43.76 12.56 2.0686 6 2 1 4 43.83 12.87 2.0657 -3 5 2 4 45.03 6.05 2.0133 -6 0 5 2 45.15 1.45 2.0083 0 4 4 4 46.84 8.47 1.9397 0 6 0 2 46.90 6.06 1.9371 -4 0 6 2 47.07 5.55 1.9307 -8 0 2 2 47.53 14.82 1.9129 4 0 4 2 48.35 6.40 1.8826 -5 3 5 4 48.43 5.24 1.8797 -7 3 3 4 48.46 1.67 1.8785 6 2 2 4 49.03 1.37 1.8581 3 3 4 4 49.07 7.41 1.8567 -5 5 1 4 49.35 1.81 1.8465 -5 5 2 4 49.47 2.26 1.8424 -7 1 5 4 49.60 12.79 1.8380 -4 2 6 4 49.76 7.37 1.8324 -8 2 2 4 50.15 19.05 1.8190 -1 5 4 4 50.20 6.95 1.8172 4 2 4 4 50.23 15.40 1.8163 5 5 0 4 50.36 4.15 1.8120 -8 2 3 4 51.47 6.64 1.7756 -6 4 4 4 51.51 3.82 1.7741 4 4 3 4 51.79 5.59 1.7652 0 4 5 4 51.91 4.72 1.7615 6 4 1 4 52.78 2.56 1.7344 -2 6 3 4 52.82 2.34 1.7333 -4 6 1 4 52.92 4.08 1.7300 2 6 2 4 53.13 1.67 1.7240 7 3 1 4 53.28 7.03 1.7193 3 5 3 4 53.45 2.44 1.7142 -4 6 2 4 54.09 1.99 1.6956 -9 1 2 4 54.58 2.94 1.6815 -7 3 5 4 55.01 1.86 1.6694 -3 1 7 4 55.51 1.81 1.6556 -6 4 5 4 56.65 12.80 1.6247 1 7 1 4 57.12 1.23 1.6125 -4 2 7 4 57.12 2.72 1.6124 -4 4 6 4 57.27 2.66 1.6087 -8 4 2 4 57.45 5.72 1.6042 1 3 6 4 57.57 1.35 1.6009 -7 5 2 4 57.59 4.76 1.6005 7 3 2 4 57.66 3.61 1.5987 2 2 6 4 57.67 3.36 1.5984 4 4 4 4 58.38 5.14 1.5806 -5 5 5 4 58.46 4.55 1.5788 -7 5 3 4 58.91 1.65 1.5677 -9 3 2 4 59.28 10.14 1.5588 -3 7 2 4 59.78 7.08 1.5469 -3 3 7 4 59.99 4.23 1.5420 -9 3 1 4 60.97 2.61 1.5196 8 2 2 4 61.07 1.03 1.5173 5 1 5 4 61.47 1.56 1.5085 -3 7 3 4 61.51 4.55 1.5076 -10 0 1 2 62.32 1.36 1.4899 9 3 0 4 63.22 1.76 1.4708 3 7 2 4 63.38 1.37 1.4676 -8 0 7 2 63.39 1.05 1.4674 -10 2 4 4 63.48 1.07 1.4655 -10 0 5 2 63.85 7.39 1.4578 -2 0 8 2 63.95 1.11 1.4559 -7 5 5 4 64.00 1.41 1.4547 0 8 0 2 64.12 2.78 1.4523 10 0 0 2 64.24 1.20 1.4500 2 0 7 2 64.41 1.14 1.4466 8 0 3 2 64.52 1.35 1.4443 -1 7 4 4 64.59 1.34 1.4429 5 7 0 4 65.58 2.19 1.4236 5 3 5 4 65.61 3.66 1.4230 -8 2 7 4 65.71 3.05 1.4211 -10 2 5 4 66.07 1.54 1.4141 -2 2 8 4 66.34 1.33 1.4091 10 2 0 4 66.45 4.78 1.4069 2 2 7 4 66.57 1.73 1.4048 1 5 6 4 66.62 2.56 1.4038 8 2 3 4 67.13 1.93 1.3944 -9 3 6 4 67.22 6.75 1.3928 3 7 3 4 67.71 2.12 1.3838 -7 1 8 4 67.91 1.03 1.3802 -11 1 4 4 69.08 1.00 1.3598 2 8 2 4 70.33 1.98 1.3386 -10 4 1 4 71.72 4.17 1.3159 -5 7 5 4 71.79 3.34 1.3149 -7 7 3 4 71.81 1.23 1.3146 7 5 3 4 72.08 1.22 1.3103 -8 4 7 4 72.53 3.12 1.3033 -2 4 8 4 72.78 1.21 1.2994 10 4 0 4 72.89 1.41 1.2977 2 4 7 4 73.05 1.32 1.2953 8 4 3 4 73.30 1.77 1.2914 -6 0 9 2 74.02 1.23 1.2807 -12 0 4 2 74.15 3.00 1.2787 5 5 5 4 74.39 1.73 1.2753 6 0 6 2 74.40 1.44 1.2750 1 9 1 4 75.28 2.23 1.2624 2 6 6 4 75.39 2.52 1.2607 -6 2 9 4 75.58 1.11 1.2581 7 7 1 4 75.68 1.14 1.2567 -12 2 3 4 76.47 1.16 1.2457 6 2 6 4 76.70 2.08 1.2424 -3 9 2 4 78.20 1.10 1.2223 8 6 2 4 79.22 4.48 1.2092 1 7 6 4 79.34 3.47 1.2076 7 7 2 4 80.29 3.84 1.1957 -7 5 8 4 80.48 2.03 1.1934 -11 5 4 4 80.48 2.75 1.1934 -9 7 2 4 80.58 1.31 1.1922 -5 9 1 4 81.24 6.11 1.1841 -3 7 7 4 81.41 2.66 1.1821 -1 9 4 4 81.43 3.59 1.1819 -9 7 1 4 81.47 2.27 1.1813 5 9 0 4 82.31 1.14 1.1715 -11 5 5 4 82.60 1.10 1.1680 6 4 6 4 82.97 1.75 1.1638 0 10 0 2 83.89 1.45 1.1533 3 9 3 4 86.93 1.56 1.1207 -12 0 8 2 87.76 2.89 1.1122 -1 5 9 4 87.84 1.75 1.1113 -9 7 6 4 88.06 1.25 1.1091 11 5 1 4 88.12 1.10 1.1086 -5 9 5 4 89.97 2.55 1.0906 0 2 10 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.