#------------------------------------------------------------------------------ #$Date: 2016-04-06 15:35:39 +0300 (Wed, 06 Apr 2016) $ #$Revision: 181862 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/29/1542916.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1542916 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 9.85680(13) _cell_length_b 13.59424(18) _cell_length_c 7.37880(11) _cod_data_source_file TbFeTi2O7.fcf _cod_data_source_block a #BEGIN Tags that were not found in dictionaries: _shelx_f_squared_multiplier 1 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' '-x, -y+1/2, z' '-x+1/2, y, z+1/2' '-x+1/2, y+1/2, -z+1/2' 'x, y+1/2, -z' 'x+1/2, -y, -z+1/2' 'x+1/2, -y+1/2, z+1/2' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc 0 2 0 0.19 0.20 180.00000 1 0 1 0.47 0.47 180.00000 1 2 0 31.62 32.02 180.00000 1 1 1 0.01 0.01 0.00000 2 0 0 16.66 16.63 180.00000 1 2 1 0.56 0.57 0.00000 2 2 0 0.04 0.04 0.00000 2 1 1 0.21 0.21 0.00000 0 0 2 21.72 22.18 0.00000 1 3 1 4.96 4.99 180.00000 0 1 2 0.72 0.73 0.00000 2 2 1 1.76 1.74 180.00000 0 4 0 13.22 13.51 180.00000 1 1 2 2.88 2.87 180.00000 0 2 2 0.94 0.94 180.00000 1 4 0 6.11 6.13 0.00000 1 2 2 50.70 50.62 180.00000 2 3 1 0.01 0.01 180.00000 3 0 1 1.29 1.30 180.00000 3 2 0 23.99 23.90 0.00000 2 0 2 368.55 365.39 180.00000 1 4 1 1.67 1.66 180.00000 3 1 1 0.00 0.00 180.00000 2 1 2 2.49 2.52 0.00000 0 3 2 1.14 1.15 180.00000 2 4 0 351.50 349.27 0.00000 1 3 2 0.97 0.96 0.00000 3 2 1 0.71 0.70 0.00000 2 2 2 0.07 0.07 0.00000 2 4 1 0.53 0.53 180.00000 3 3 1 0.20 0.20 0.00000 0 4 2 140.47 140.06 180.00000 2 3 2 2.08 2.10 180.00000 1 5 1 0.47 0.47 0.00000 4 0 0 69.45 69.36 0.00000 1 4 2 4.97 5.00 0.00000 3 1 2 1.21 1.22 0.00000 1 0 3 0.78 0.79 0.00000 3 4 0 7.35 7.34 180.00000 1 1 3 0.64 0.64 0.00000 4 2 0 0.76 0.76 180.00000 3 2 2 122.86 121.79 0.00000 4 1 1 0.06 0.06 180.00000 0 6 0 1.52 1.51 0.00000 2 5 1 16.59 16.54 180.00000 1 2 3 2.06 2.08 180.00000 3 4 1 0.21 0.21 180.00000 2 4 2 76.93 76.47 0.00000 4 2 1 2.88 2.87 0.00000 1 6 0 56.10 55.72 0.00000 0 5 2 1.19 1.20 0.00000 2 1 3 19.54 19.51 180.00000 3 3 2 2.59 2.58 180.00000 1 5 2 0.59 0.59 0.00000 1 6 1 1.44 1.45 0.00000 1 3 3 4.13 4.13 0.00000 2 2 3 1.36 1.35 180.00000 4 3 1 1.44 1.44 0.00000 2 6 0 1.48 1.47 180.00000 4 0 2 26.15 26.10 0.00000 4 1 2 1.64 1.65 0.00000 3 5 1 4.59 4.56 180.00000 2 5 2 1.07 1.07 0.00000 4 4 0 38.21 38.28 180.00000 3 4 2 13.75 13.77 180.00000 2 6 1 0.05 0.05 0.00000 2 3 3 0.84 0.85 180.00000 3 0 3 1.56 1.57 0.00000 4 2 2 2.77 2.79 180.00000 1 4 3 2.18 2.18 0.00000 3 1 3 18.72 18.70 180.00000 0 6 2 3.53 3.56 0.00000 4 4 1 0.07 0.07 180.00000 5 0 1 0.01 0.01 180.00000 1 6 2 69.17 69.87 0.00000 5 2 0 42.15 42.54 180.00000 3 2 3 0.24 0.24 180.00000 5 1 1 0.52 0.52 180.00000 4 3 2 0.70 0.71 180.00000 3 6 0 3.71 3.74 180.00000 2 4 3 0.11 0.11 180.00000 1 7 1 8.24 8.18 180.00000 0 0 4 124.77 123.86 0.00000 5 2 1 0.19 0.19 0.00000 0 1 4 0.60 0.60 180.00000 3 5 2 1.80 1.81 180.00000 3 6 1 0.00 0.00 0.00000 3 3 3 10.22 10.21 0.00000 2 6 2 7.24 7.19 180.00000 1 1 4 6.31 6.26 180.00000 1 5 3 0.03 0.03 180.00000 0 2 4 3.84 3.84 0.00000 4 5 1 0.84 0.85 0.00000 5 3 1 3.74 3.73 180.00000 2 7 1 0.23 0.23 180.00000 4 4 2 589.85 590.39 180.00000 1 2 4 52.41 52.51 180.00000 2 0 4 37.56 37.76 180.00000 4 1 3 0.00 0.00 180.00000 5 1 2 0.89 0.89 180.00000 0 7 2 1.37 1.37 180.00000 2 1 4 0.52 0.52 180.00000 2 5 3 3.46 3.47 180.00000 0 3 4 0.40 0.40 0.00000 5 4 0 4.95 4.95 0.00000 3 4 3 4.13 4.13 0.00000 0 8 0 121.04 120.33 0.00000 1 7 2 1.99 1.98 180.00000 4 2 3 2.41 2.38 0.00000 5 2 2 38.42 38.09 180.00000 1 3 4 4.45 4.41 0.00000 1 8 0 24.06 24.07 180.00000 2 2 4 8.65 8.65 0.00000 4 6 0 0.16 0.16 0.00000 3 6 2 43.60 43.61 180.00000 5 4 1 2.12 2.12 180.00000 1 6 3 0.98 0.98 180.00000 6 0 0 13.43 13.41 180.00000 4 5 2 3.33 3.33 0.00000 1 8 1 0.19 0.19 180.00000 3 7 1 9.90 9.87 180.00000 4 6 1 1.62 1.62 180.00000 4 3 3 1.91 1.91 180.00000 5 3 2 1.08 1.08 0.00000 2 7 2 0.78 0.77 180.00000 0 4 4 62.58 62.15 180.00000 2 3 4 0.22 0.22 0.00000 2 8 0 18.18 18.09 180.00000 1 4 4 11.54 11.52 0.00000 3 1 4 3.66 3.66 0.00000 6 2 0 0.07 0.07 0.00000 3 5 3 2.34 2.33 180.00000 6 1 1 1.64 1.64 0.00000 2 6 3 0.02 0.02 0.00000 2 8 1 0.70 0.70 180.00000 3 2 4 22.96 22.94 0.00000 6 2 1 3.40 3.40 180.00000 5 5 1 2.83 2.84 180.00000 4 4 3 0.02 0.02 0.00000 5 4 2 10.47 10.43 0.00000 0 8 2 16.96 16.92 0.00000 2 4 4 245.70 246.52 0.00000 5 0 3 3.05 3.05 0.00000 5 1 3 8.90 8.64 180.00000 0 5 4 0.53 0.52 180.00000 1 8 2 21.29 20.83 180.00000 3 7 2 0.15 0.15 0.00000 4 6 2 0.25 0.25 0.00000 3 3 4 3.44 3.44 180.00000 6 3 1 0.35 0.35 0.00000 3 8 0 8.75 8.78 0.00000 1 5 4 3.24 3.24 0.00000 1 7 3 18.20 18.25 0.00000 6 0 2 140.83 141.61 180.00000 5 2 3 0.56 0.56 180.00000 4 7 1 0.29 0.29 180.00000 6 1 2 1.23 1.24 0.00000 5 6 0 14.44 14.52 0.00000 3 6 3 1.54 1.55 180.00000 6 4 0 167.13 167.23 0.00000 3 8 1 1.84 1.84 180.00000 4 0 4 93.20 93.88 0.00000 2 8 2 249.27 251.29 180.00000 4 1 4 1.07 1.08 180.00000 4 5 3 0.25 0.25 180.00000 6 2 2 0.60 0.60 180.00000 5 5 2 2.03 2.04 0.00000 1 9 1 3.24 3.24 180.00000 1 0 5 0.34 0.34 180.00000 2 5 4 2.72 2.73 180.00000 5 6 1 0.66 0.66 0.00000 5 3 3 12.52 12.59 0.00000 2 7 3 1.01 1.01 0.00000 3 4 4 3.05 3.07 180.00000 1 1 5 11.67 11.72 0.00000 6 4 1 0.17 0.17 0.00000 4 2 4 1.14 1.14 0.00000 0 6 4 5.48 5.47 0.00000 1 2 5 0.45 0.45 180.00000 6 3 2 1.25 1.25 180.00000 2 9 1 1.51 1.51 0.00000 1 6 4 36.02 36.05 0.00000 4 7 2 1.20 1.20 180.00000 2 1 5 0.91 0.91 180.00000 4 3 4 1.03 1.04 0.00000 5 4 3 0.78 0.79 0.00000 4 8 0 92.73 93.12 0.00000 0 9 2 0.07 0.07 0.00000 3 8 2 21.80 21.92 0.00000 1 3 5 16.29 16.36 180.00000 3 5 4 3.88 3.90 180.00000 1 8 3 2.00 2.01 0.00000 2 2 5 0.39 0.39 180.00000 1 9 2 0.96 0.97 180.00000 7 0 1 1.11 1.12 180.00000 3 7 3 9.97 10.02 0.00000 6 5 1 6.01 6.04 0.00000 4 6 3 2.39 2.40 180.00000 5 6 2 11.07 11.11 0.00000 7 2 0 26.19 26.27 0.00000 7 1 1 0.49 0.49 0.00000 4 8 1 0.00 0.00 0.00000 2 6 4 0.38 0.38 0.00000 6 4 2 31.75 31.81 0.00000 5 7 1 0.46 0.46 180.00000 0 10 0 0.25 0.25 180.00000 6 1 3 2.20 2.20 0.00000 7 2 1 0.56 0.55 0.00000 4 4 4 34.09 34.05 180.00000 2 3 5 0.12 0.12 180.00000 3 9 1 1.41 1.40 180.00000 1 10 0 5.54 5.55 180.00000 3 0 5 0.42 0.42 180.00000 2 8 3 0.09 0.09 180.00000 2 9 2 2.67 2.67 0.00000 1 4 5 2.16 2.16 180.00000 5 1 4 2.23 2.24 180.00000 3 1 5 4.27 4.28 0.00000 6 2 3 3.19 3.19 180.00000 5 5 3 0.60 0.60 180.00000 0 7 4 0.04 0.04 180.00000 6 6 0 3.09 3.09 180.00000 1 7 4 3.03 3.04 180.00000 1 10 1 0.91 0.91 0.00000 7 3 1 3.89 3.89 180.00000 5 2 4 41.89 42.06 180.00000 3 2 5 0.10 0.10 0.00000 6 5 2 0.52 0.52 0.00000 3 6 4 18.64 18.70 180.00000 2 10 0 1.17 1.17 0.00000 7 1 2 1.05 1.06 0.00000 6 6 1 4.91 4.93 0.00000 4 8 2 36.22 36.41 0.00000 6 3 3 0.01 0.01 180.00000 2 4 5 0.00 0.00 180.00000 7 4 0 1.63 1.63 180.00000 4 5 4 0.02 0.02 0.00000 4 7 3 0.01 0.01 0.00000 5 7 2 0.61 0.61 180.00000 7 2 2 9.77 9.77 0.00000 5 3 4 3.28 3.28 0.00000 2 7 4 1.48 1.48 0.00000 3 3 5 3.54 3.54 180.00000 2 10 1 1.12 1.12 180.00000 5 8 0 5.17 5.17 180.00000 3 8 3 1.18 1.18 0.00000 3 9 2 0.38 0.38 0.00000 1 5 5 8.98 8.98 0.00000 7 4 1 0.05 0.05 0.00000 1 9 3 0.79 0.78 0.00000 0 10 2 1.79 1.78 180.00000 5 6 3 0.05 0.05 180.00000 4 9 1 0.40 0.40 0.00000 5 8 1 0.09 0.09 180.00000 6 4 3 0.36 0.35 0.00000 1 10 2 15.33 15.23 180.00000 7 3 2 0.75 0.75 180.00000 4 1 5 0.04 0.04 180.00000 3 10 0 19.71 19.66 0.00000 2 5 5 12.29 12.29 180.00000 5 4 4 3.24 3.24 0.00000 3 4 5 0.04 0.04 0.00000 6 6 2 1.65 1.65 180.00000 0 8 4 90.38 90.39 0.00000 2 9 3 16.24 16.30 180.00000 4 2 5 0.77 0.77 0.00000 1 8 4 17.19 17.17 180.00000 3 7 4 2.09 2.09 0.00000 3 10 1 0.24 0.24 0.00000 4 6 4 8.22 8.23 0.00000 6 7 1 0.05 0.05 0.00000 2 10 2 6.08 6.09 0.00000 7 5 1 0.13 0.13 180.00000 8 0 0 77.34 77.33 0.00000 0 0 6 2.82 2.82 0.00000 1 6 5 0.13 0.13 180.00000 7 4 2 4.29 4.30 180.00000 6 0 4 26.24 26.35 180.00000 0 1 6 0.30 0.30 180.00000 7 0 3 0.02 0.02 0.00000 6 1 4 0.18 0.18 180.00000 6 5 3 1.49 1.49 0.00000 4 3 5 0.55 0.55 0.00000 7 1 3 0.17 0.17 0.00000 4 8 3 0.07 0.07 0.00000 4 9 2 0.79 0.79 0.00000 1 1 6 3.74 3.75 180.00000 5 8 2 17.44 17.47 180.00000 8 2 0 0.06 0.06 180.00000 2 8 4 37.55 37.58 180.00000 8 1 1 1.36 1.36 0.00000 0 2 6 2.91 2.92 180.00000 1 11 1 1.80 1.80 180.00000 6 2 4 5.35 5.35 0.00000 5 5 4 1.93 1.94 0.00000 3 5 5 0.11 0.11 0.00000 5 7 3 1.74 1.74 0.00000 7 2 3 0.44 0.44 180.00000 1 2 6 29.81 29.87 180.00000 2 6 5 0.12 0.12 0.00000 3 9 3 0.01 0.01 0.00000 8 2 1 5.19 5.22 0.00000 7 6 0 23.68 23.83 180.00000 2 0 6 70.24 70.69 180.00000 4 10 0 8.83 8.86 180.00000 3 10 2 33.21 33.24 0.00000 2 1 6 0.06 0.06 0.00000 6 7 2 0.17 0.17 180.00000 0 3 6 0.00 0.00 0.00000 4 4 5 0.06 0.06 180.00000 7 5 2 0.17 0.17 180.00000 6 3 4 0.48 0.48 0.00000 5 9 1 0.24 0.24 180.00000 2 11 1 1.01 1.00 0.00000 5 0 5 0.02 0.02 0.00000 1 10 3 0.95 0.95 180.00000 6 8 0 12.83 12.81 180.00000 7 6 1 0.00 0.00 0.00000 7 3 3 3.76 3.76 0.00000 1 3 6 5.22 5.22 0.00000 5 1 5 0.91 0.91 0.00000 4 7 4 0.23 0.23 0.00000 2 2 6 2.82 2.83 180.00000 4 10 1 0.86 0.86 0.00000 8 3 1 0.01 0.01 180.00000 0 11 2 0.19 0.19 180.00000 6 6 3 2.51 2.50 0.00000 0 9 4 2.68 2.68 180.00000 8 0 2 26.68 26.67 0.00000 3 8 4 15.84 15.84 0.00000 1 7 5 10.18 10.13 180.00000 6 8 1 0.03 0.03 0.00000 8 1 2 0.49 0.49 0.00000 5 2 5 0.04 0.04 0.00000 1 11 2 0.07 0.07 0.00000 1 9 4 3.26 3.25 180.00000 8 4 0 4.28 4.29 180.00000 5 6 4 30.17 30.29 0.00000 3 6 5 0.04 0.04 0.00000 2 10 3 0.89 0.89 180.00000 0 4 6 57.10 57.41 180.00000 6 4 4 146.97 148.25 0.00000 2 3 6 0.06 0.07 0.00000 8 2 2 0.65 0.66 180.00000 7 4 3 2.90 2.90 0.00000 1 4 6 3.82 3.82 0.00000 4 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180.00000 4 10 3 0.51 0.51 0.00000 3 12 0 11.02 11.01 180.00000 8 6 1 2.83 2.83 180.00000 5 10 2 25.08 25.06 180.00000 8 3 3 0.07 0.07 0.00000 9 2 1 0.01 0.01 0.00000 4 3 6 0.38 0.38 0.00000 2 10 4 6.34 6.34 0.00000 6 3 5 0.87 0.87 0.00000 6 8 3 0.12 0.12 0.00000 6 9 2 1.47 1.46 0.00000 7 4 4 2.44 2.44 180.00000 4 7 5 0.02 0.02 180.00000 3 5 6 3.41 3.41 180.00000 3 12 1 0.33 0.33 180.00000 4 11 2 0.09 0.09 180.00000 2 12 2 18.59 18.59 0.00000 4 9 4 1.37 1.38 180.00000 2 6 6 9.04 9.06 180.00000 5 8 4 8.63 8.65 180.00000 3 8 5 0.61 0.61 180.00000 9 3 1 0.17 0.17 180.00000 1 9 5 0.12 0.12 0.00000 1 0 7 0.08 0.08 180.00000 8 4 3 0.00 0.00 0.00000 5 6 5 0.36 0.36 0.00000 6 10 0 2.21 2.22 0.00000 4 4 6 93.60 93.74 180.00000 9 1 2 0.52 0.52 180.00000 3 11 3 2.34 2.34 0.00000 1 1 7 1.79 1.79 180.00000 6 4 5 0.00 0.00 0.00000 9 4 0 0.71 0.71 0.00000 5 1 6 4.79 4.79 180.00000 7 8 2 11.18 11.18 0.00000 0 7 6 0.11 0.11 180.00000 8 6 2 1.40 1.40 0.00000 3 10 4 15.23 15.20 0.00000 9 2 2 25.53 25.47 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