Bafertisite Guan Y S, Simonov V I, Belov N V Doklady Akademii Nauk SSSR 149 (1963) 1416-1419 The crystal structure of bafertisite BaFe2TiO[Si2O7](OH)2 _database_code_amcsd 0012443 CELL PARAMETERS: 10.6000 13.6400 12.4700 90.000 119.500 90.000 SPACE GROUP: Cm X-RAY WAVELENGTH: 1.541838 Cell Volume: 1569.219 Density (g/cm3): 4.343 MAX. ABS. INTENSITY / VOLUME**2: 16.76182675 RIR: 1.257 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.15 1.16 10.8533 0 0 1 1 11.11 1.13 7.9613 -1 1 1 2 15.34 2.82 5.7746 0 2 1 2 16.33 52.08 5.4267 0 0 2 1 20.92 2.35 4.2464 0 2 2 2 21.27 8.97 4.1771 -2 2 1 2 21.54 2.02 4.1247 -1 3 1 2 22.33 23.86 3.9806 -2 2 2 2 22.56 8.22 3.9410 -2 0 3 1 23.28 59.87 3.8209 2 2 0 2 24.28 1.14 3.6660 -1 3 2 2 24.40 11.11 3.6477 2 0 1 1 24.61 10.01 3.6178 0 0 3 1 26.11 81.66 3.4123 -2 2 3 2 26.13 14.07 3.4100 0 4 0 2 27.42 47.96 3.2532 0 4 1 2 27.73 84.60 3.2165 2 2 1 2 27.92 18.71 3.1960 0 2 3 2 28.81 15.75 3.0988 -2 0 4 1 30.97 53.88 2.8873 0 4 2 2 31.02 9.96 2.8832 2 0 2 1 31.22 3.49 2.8652 -2 4 1 2 31.72 30.55 2.8212 -2 2 4 2 31.97 1.57 2.7994 -2 4 2 2 32.66 100.00 2.7421 2 4 0 2 33.01 57.12 2.7133 0 0 4 1 33.75 13.96 2.6556 2 2 2 2 33.93 10.17 2.6421 -4 0 2 1 34.11 1.43 2.6282 -1 5 1 2 34.31 46.88 2.6139 -4 0 3 1 34.79 31.29 2.5787 -2 4 3 2 35.59 16.48 2.5227 -4 0 1 1 35.61 16.76 2.5211 0 2 4 2 36.02 5.06 2.4932 -2 0 5 1 36.06 23.69 2.4910 2 4 1 2 36.20 21.04 2.4814 0 4 3 2 36.66 3.95 2.4512 -4 0 4 1 38.44 2.76 2.3416 -2 2 5 2 38.45 2.78 2.3414 2 0 3 1 39.29 1.86 2.2933 -2 4 4 2 40.70 33.69 2.2167 -4 0 5 1 40.99 24.22 2.2017 2 4 2 2 41.32 4.06 2.1849 4 2 0 2 41.61 6.83 2.1707 0 0 5 1 42.58 6.53 2.1232 0 4 4 2 42.90 4.66 2.1082 -4 2 5 2 43.14 3.70 2.0968 0 6 2 2 43.32 25.14 2.0885 -4 4 2 2 43.33 6.03 2.0883 -2 6 1 2 43.63 20.80 2.0745 -4 4 3 2 43.77 9.47 2.0684 0 2 5 2 43.85 1.85 2.0647 -2 0 6 1 43.90 9.94 2.0624 -2 6 2 2 43.97 22.91 2.0593 4 0 1 1 44.43 3.28 2.0392 2 6 0 2 44.68 18.39 2.0281 -4 4 1 2 45.04 15.14 2.0126 -2 4 5 2 45.58 9.01 1.9903 -4 4 4 2 46.04 5.29 1.9714 4 2 1 2 46.09 13.78 1.9692 -2 6 3 2 46.44 2.53 1.9555 2 0 4 1 47.08 1.59 1.9302 2 4 3 2 47.10 8.06 1.9293 2 6 1 2 47.22 5.24 1.9249 0 6 3 2 47.60 3.29 1.9105 4 4 0 2 48.06 2.78 1.8931 -4 2 6 2 49.01 2.22 1.8586 -4 4 5 2 49.74 6.81 1.8330 -2 6 4 2 49.80 3.90 1.8311 0 4 5 2 50.45 2.11 1.8089 0 0 6 1 51.17 7.27 1.7852 2 6 2 2 51.89 3.23 1.7619 4 2 2 2 52.17 4.15 1.7534 -2 0 7 1 52.33 1.50 1.7484 0 2 6 2 52.45 15.03 1.7446 -4 0 7 1 52.52 1.63 1.7426 0 6 4 2 53.73 1.94 1.7061 -4 4 6 2 53.75 1.71 1.7054 -6 2 3 2 53.76 29.29 1.7050 0 8 0 2 53.78 1.82 1.7044 -6 2 4 2 54.06 38.69 1.6964 2 4 4 2 54.27 4.51 1.6902 -4 2 7 2 54.63 1.29 1.6799 -2 6 5 2 54.90 5.46 1.6723 2 0 5 1 55.14 4.61 1.6658 -6 2 2 2 55.24 10.14 1.6629 -6 2 5 2 56.13 1.45 1.6386 -6 0 1 1 56.30 1.63 1.6341 -6 0 6 1 56.41 3.06 1.6310 2 6 3 2 56.58 8.07 1.6266 0 8 2 2 56.67 1.90 1.6242 2 2 5 2 56.87 1.87 1.6191 4 6 0 2 56.94 4.21 1.6171 4 0 3 1 57.29 3.79 1.6083 4 4 2 2 57.69 1.24 1.5980 0 4 6 2 57.88 6.84 1.5933 -6 2 1 2 58.04 6.86 1.5891 -6 2 6 2 58.12 2.52 1.5871 -4 6 5 2 58.67 2.43 1.5735 4 2 3 2 58.82 1.06 1.5699 0 6 5 2 59.03 13.85 1.5649 -6 4 3 2 59.06 13.64 1.5642 -6 4 4 2 59.26 23.82 1.5593 -2 4 7 2 59.52 4.20 1.5531 -4 4 7 2 59.63 2.05 1.5505 0 0 7 1 59.68 2.98 1.5494 -4 0 8 1 59.88 2.67 1.5446 2 8 1 2 60.68 4.95 1.5262 4 6 1 2 60.96 5.29 1.5198 -2 0 8 1 61.31 2.09 1.5119 0 2 7 2 61.36 1.16 1.5109 -4 2 8 2 61.86 2.10 1.5000 6 2 0 2 62.08 1.09 1.4951 -6 2 7 2 62.14 1.27 1.4938 -2 8 4 2 62.36 3.30 1.4890 -4 6 6 2 62.62 1.93 1.4834 -2 2 8 2 62.93 3.07 1.4769 -6 4 1 2 63.09 3.61 1.4736 -6 4 6 2 63.38 3.42 1.4676 2 8 2 2 63.69 6.01 1.4611 4 4 3 2 63.86 3.23 1.4577 2 0 6 1 64.55 10.98 1.4436 0 8 4 2 64.66 3.76 1.4416 4 0 4 1 65.11 2.42 1.4326 -4 8 2 2 65.35 12.99 1.4281 -4 8 3 2 65.48 1.06 1.4255 2 2 6 2 65.63 2.05 1.4226 4 6 2 2 66.00 1.80 1.4155 0 6 6 2 66.15 4.80 1.4126 -4 8 1 2 66.26 4.09 1.4106 -4 4 8 2 66.27 1.38 1.4104 4 2 4 2 66.43 1.06 1.4074 -2 8 5 2 67.24 2.87 1.3924 -6 6 3 2 67.27 1.91 1.3918 -6 6 4 2 67.70 2.43 1.3840 -4 6 7 2 68.46 1.86 1.3705 -6 6 2 2 68.55 1.95 1.3689 -6 6 5 2 69.24 1.37 1.3570 -4 2 9 2 69.26 1.10 1.3567 0 0 8 1 69.56 8.07 1.3515 -4 8 5 2 70.22 3.18 1.3403 2 4 6 2 70.81 3.69 1.3306 0 2 8 2 70.89 2.30 1.3293 -6 6 1 2 70.98 1.14 1.3278 4 4 4 2 71.04 1.56 1.3269 -6 6 6 2 71.24 2.46 1.3237 -8 0 5 1 71.40 7.22 1.3210 -8 0 4 1 71.54 1.21 1.3188 6 0 2 1 71.65 6.22 1.3171 6 4 1 2 71.80 1.22 1.3147 -2 8 6 2 71.84 1.24 1.3141 -2 10 2 2 71.89 6.28 1.3133 4 8 1 2 71.92 6.08 1.3129 -6 4 8 2 72.23 2.65 1.3080 2 10 0 2 72.29 1.98 1.3070 -8 0 6 1 73.11 2.26 1.2943 4 0 5 1 73.47 4.19 1.2890 -2 10 3 2 74.00 3.84 1.2809 0 6 7 2 74.23 4.07 1.2776 2 10 1 2 74.50 1.19 1.2736 6 6 0 2 74.64 3.26 1.2716 4 2 5 2 74.70 1.38 1.2707 -6 6 7 2 75.20 1.31 1.2635 -2 6 8 2 75.35 1.62 1.2614 -8 0 2 1 76.27 1.75 1.2484 -2 10 4 2 76.41 6.86 1.2465 -2 4 9 2 77.49 1.59 1.2318 -8 4 4 2 77.62 1.24 1.2300 6 4 2 2 77.94 1.88 1.2258 -6 4 9 2 77.96 1.59 1.2256 -8 0 8 1 78.20 2.47 1.2224 -2 8 7 2 78.35 2.29 1.2204 -8 4 6 2 78.43 6.67 1.2194 -4 8 7 2 78.48 1.23 1.2187 0 10 4 2 78.70 1.95 1.2159 6 0 3 1 78.83 3.25 1.2142 -8 4 3 2 79.45 1.10 1.2063 -8 2 8 2 80.44 1.95 1.1939 2 8 5 2 80.55 2.37 1.1926 -8 4 7 2 80.55 1.82 1.1925 -8 2 1 2 80.96 1.47 1.1875 0 2 9 2 81.33 1.57 1.1830 -8 4 2 2 81.37 1.01 1.1826 -4 6 9 2 81.61 1.20 1.1798 -6 8 6 2 82.15 3.08 1.1733 4 8 3 2 82.87 2.01 1.1650 0 6 8 2 83.75 2.31 1.1549 0 10 5 2 83.85 1.72 1.1538 4 2 6 2 83.89 1.36 1.1533 -8 4 8 2 83.90 3.84 1.1532 8 0 0 1 83.97 1.12 1.1525 -8 2 9 2 84.62 2.51 1.1453 6 4 3 2 85.37 1.05 1.1371 8 2 0 2 85.61 2.98 1.1345 -2 8 8 2 85.99 1.42 1.1305 0 12 1 2 86.53 2.08 1.1248 4 6 5 2 87.73 1.19 1.1125 0 12 2 2 88.18 2.45 1.1079 2 8 6 2 88.62 2.33 1.1037 2 12 0 2 88.90 1.70 1.1008 4 8 4 2 89.48 4.54 1.0952 2 4 8 2 89.80 1.39 1.0921 -2 12 3 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.