#------------------------------------------------------------------------------ #$Date: 2016-04-06 15:35:39 +0300 (Wed, 06 Apr 2016) $ #$Revision: 181862 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/29/1542915.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_1542915 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 9.80934(10) _cell_length_b 13.50693(14) _cell_length_c 7.303017(72) _cod_data_source_file LuFeTi2O7.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+1/2, z' '-x+1/2, y, z+1/2' '-x+1/2, y+1/2, -z+1/2' 'x, y, z' '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 0.00 0.00 180.00000 1 0 1 0.86 0.88 180.00000 1 2 0 117.65 117.79 180.00000 1 1 1 0.11 0.11 180.00000 2 0 0 54.39 54.13 180.00000 1 2 1 1.02 1.06 0.00000 2 2 0 0.41 0.41 0.00000 2 1 1 0.10 0.11 0.00000 0 0 2 61.44 62.41 0.00000 1 3 1 9.75 9.67 180.00000 0 1 2 2.11 2.15 0.00000 2 2 1 0.21 0.21 0.00000 0 4 0 38.49 39.50 180.00000 1 1 2 5.70 5.75 180.00000 0 2 2 7.65 7.73 180.00000 1 4 0 18.05 17.73 0.00000 1 2 2 177.14 174.90 180.00000 2 3 1 0.42 0.39 180.00000 3 0 1 6.73 6.63 180.00000 3 2 0 84.26 82.88 0.00000 2 0 2 913.43 887.54 180.00000 1 4 1 11.39 11.07 180.00000 3 1 1 0.29 0.28 0.00000 2 1 2 7.29 7.14 0.00000 0 3 2 3.10 3.07 180.00000 2 4 0 892.81 880.38 0.00000 3 2 1 2.06 1.99 0.00000 1 3 2 1.71 1.66 0.00000 2 2 2 1.57 1.50 180.00000 2 4 1 0.94 0.95 180.00000 3 3 1 0.11 0.10 0.00000 0 4 2 372.76 374.40 180.00000 2 3 2 3.09 3.16 180.00000 1 5 1 0.24 0.25 0.00000 4 0 0 182.40 185.35 0.00000 1 4 2 9.83 9.91 0.00000 3 1 2 0.34 0.34 0.00000 1 0 3 0.15 0.15 0.00000 3 4 0 15.84 16.00 180.00000 1 1 3 1.35 1.36 0.00000 4 2 0 0.30 0.30 180.00000 3 2 2 354.00 346.62 0.00000 4 1 1 0.23 0.23 0.00000 0 6 0 5.11 5.01 0.00000 2 5 1 30.57 29.99 180.00000 3 4 1 0.25 0.25 0.00000 1 2 3 1.48 1.49 180.00000 2 4 2 212.63 211.28 0.00000 4 2 1 0.25 0.25 180.00000 1 6 0 166.63 164.08 0.00000 0 5 2 5.00 5.11 0.00000 2 1 3 39.61 39.34 180.00000 3 3 2 3.46 3.45 180.00000 1 5 2 0.04 0.04 180.00000 1 6 1 3.22 3.27 0.00000 1 3 3 8.87 9.02 0.00000 2 2 3 0.00 0.00 0.00000 4 3 1 1.74 1.78 0.00000 2 6 0 2.19 2.21 180.00000 4 0 2 84.00 85.16 0.00000 4 1 2 4.83 4.96 0.00000 3 5 1 15.18 15.19 180.00000 2 5 2 3.35 3.41 0.00000 4 4 0 106.33 107.78 180.00000 3 4 2 34.85 35.49 180.00000 2 6 1 0.25 0.25 0.00000 2 3 3 3.08 3.15 180.00000 3 0 3 4.34 4.45 0.00000 4 2 2 6.79 6.93 180.00000 1 4 3 1.54 1.57 0.00000 3 1 3 35.22 35.73 180.00000 0 6 2 2.59 2.63 0.00000 4 4 1 0.05 0.05 0.00000 5 0 1 0.97 0.98 0.00000 5 2 0 112.94 115.69 180.00000 1 6 2 207.74 213.27 0.00000 5 1 1 1.32 1.36 180.00000 3 2 3 1.15 1.19 0.00000 4 3 2 4.23 4.37 180.00000 3 6 0 22.92 23.68 180.00000 1 7 1 21.15 21.18 180.00000 2 4 3 0.83 0.83 180.00000 0 0 4 312.08 312.93 0.00000 5 2 1 0.10 0.10 180.00000 0 1 4 1.86 1.89 180.00000 3 5 2 3.68 3.72 180.00000 3 6 1 0.05 0.05 0.00000 3 3 3 14.29 14.19 0.00000 2 6 2 21.05 21.11 180.00000 1 1 4 7.74 7.69 180.00000 1 5 3 0.38 0.38 0.00000 0 2 4 4.02 3.89 0.00000 4 5 1 2.41 2.34 0.00000 5 3 1 8.33 8.35 180.00000 2 7 1 1.38 1.39 180.00000 4 4 2 1444.00 1455.00 180.00000 1 2 4 164.38 167.44 180.00000 5 1 2 0.67 0.67 180.00000 4 1 3 0.03 0.03 180.00000 2 0 4 113.51 113.94 180.00000 0 7 2 0.36 0.36 180.00000 2 1 4 4.04 3.99 180.00000 2 5 3 5.42 5.36 180.00000 5 4 0 9.11 8.99 0.00000 0 3 4 2.70 2.66 0.00000 3 4 3 12.55 12.38 0.00000 0 8 0 313.24 308.73 0.00000 1 7 2 2.17 2.14 180.00000 5 2 2 154.96 153.40 180.00000 4 2 3 0.26 0.25 0.00000 1 3 4 9.63 9.58 0.00000 1 8 0 53.64 53.43 180.00000 2 2 4 22.30 22.45 0.00000 4 6 0 0.36 0.36 0.00000 3 6 2 159.22 162.09 180.00000 5 4 1 2.76 2.82 180.00000 6 0 0 36.22 36.02 180.00000 1 6 3 0.92 0.91 180.00000 4 5 2 8.65 8.53 0.00000 1 8 1 3.62 3.57 180.00000 3 7 1 24.51 24.16 180.00000 4 6 1 0.23 0.23 180.00000 5 3 2 0.52 0.52 0.00000 4 3 3 2.06 2.06 180.00000 2 7 2 2.82 2.82 180.00000 0 4 4 165.14 165.31 180.00000 2 3 4 2.99 2.99 0.00000 2 8 0 57.29 56.96 180.00000 6 2 0 1.92 1.91 0.00000 1 4 4 21.66 21.55 0.00000 6 1 1 7.04 7.01 0.00000 3 1 4 6.14 6.11 0.00000 3 5 3 0.90 0.89 180.00000 2 6 3 0.31 0.30 180.00000 2 8 1 1.01 0.98 180.00000 6 2 1 0.07 0.07 180.00000 3 2 4 90.00 89.82 0.00000 5 5 1 7.66 7.65 180.00000 5 4 2 28.58 28.35 0.00000 4 4 3 0.15 0.15 0.00000 0 8 2 57.17 56.83 0.00000 5 0 3 12.54 12.71 0.00000 2 4 4 648.27 658.65 0.00000 5 1 3 11.05 10.94 180.00000 1 8 2 51.08 49.54 180.00000 0 5 4 4.30 4.15 180.00000 3 7 2 0.01 0.01 0.00000 4 6 2 0.16 0.15 0.00000 6 3 1 0.88 0.86 0.00000 3 3 4 3.65 3.58 180.00000 3 8 0 24.13 23.85 0.00000 1 5 4 4.87 4.89 0.00000 1 7 3 36.98 37.12 0.00000 6 0 2 376.08 379.48 180.00000 5 2 3 0.01 0.01 0.00000 4 7 1 0.01 0.01 0.00000 6 1 2 7.20 7.16 0.00000 5 6 0 54.15 53.60 0.00000 3 6 3 0.02 0.02 180.00000 6 4 0 405.51 405.81 0.00000 3 8 1 0.88 0.89 180.00000 4 0 4 245.11 251.42 0.00000 2 8 2 603.63 621.40 180.00000 6 2 2 0.93 0.94 180.00000 4 1 4 7.03 7.10 180.00000 5 5 2 5.41 5.46 0.00000 4 5 3 1.04 1.05 180.00000 1 9 1 6.67 6.64 180.00000 5 6 1 0.46 0.46 180.00000 5 3 3 31.11 31.19 0.00000 2 5 4 11.59 11.64 180.00000 2 7 3 0.22 0.22 0.00000 1 0 5 0.24 0.24 180.00000 6 4 1 0.78 0.78 0.00000 3 4 4 12.36 12.42 180.00000 1 1 5 23.88 23.95 0.00000 4 2 4 12.90 12.90 0.00000 0 6 4 9.72 9.71 0.00000 6 3 2 5.74 5.76 180.00000 1 2 5 8.15 8.19 180.00000 2 9 1 3.50 3.51 0.00000 1 6 4 126.87 128.33 0.00000 4 7 2 6.43 6.49 180.00000 4 3 4 0.88 0.87 0.00000 2 1 5 0.47 0.47 180.00000 5 4 3 1.51 1.51 0.00000 4 8 0 218.98 219.80 0.00000 0 9 2 0.19 0.19 0.00000 3 8 2 48.14 48.46 0.00000 7 0 1 2.41 2.42 180.00000 1 3 5 32.96 33.20 180.00000 1 9 2 0.80 0.81 180.00000 6 5 1 12.22 12.37 0.00000 1 8 3 0.56 0.56 0.00000 3 5 4 3.59 3.64 180.00000 3 7 3 22.69 22.96 0.00000 7 2 0 90.44 91.55 0.00000 5 6 2 55.74 56.43 0.00000 2 2 5 0.32 0.32 180.00000 4 6 3 1.00 1.01 180.00000 7 1 1 0.04 0.04 180.00000 4 8 1 1.08 1.09 0.00000 6 4 2 107.61 107.67 0.00000 2 6 4 1.36 1.35 0.00000 5 7 1 1.77 1.75 180.00000 0 10 0 0.15 0.15 180.00000 6 1 3 1.41 1.40 0.00000 7 2 1 0.35 0.35 180.00000 4 4 4 105.49 104.77 180.00000 3 9 1 4.84 4.83 180.00000 1 10 0 28.78 28.99 180.00000 2 3 5 0.08 0.08 0.00000 2 9 2 7.67 7.74 0.00000 2 8 3 0.07 0.07 180.00000 3 0 5 0.75 0.75 180.00000 6 2 3 0.31 0.31 180.00000 5 1 4 2.49 2.49 180.00000 5 5 3 1.56 1.56 180.00000 1 4 5 7.65 7.68 180.00000 3 1 5 5.36 5.37 0.00000 0 7 4 1.47 1.47 0.00000 6 6 0 2.07 2.06 180.00000 1 10 1 2.78 2.78 0.00000 7 3 1 8.49 8.49 180.00000 1 7 4 1.05 1.05 180.00000 5 2 4 117.43 118.76 180.00000 3 2 5 0.69 0.70 180.00000 6 5 2 2.49 2.50 0.00000 2 10 0 2.91 2.91 0.00000 7 1 2 2.22 2.23 0.00000 6 6 1 0.00 0.00 0.00000 3 6 4 64.95 65.19 180.00000 4 8 2 109.32 110.08 0.00000 6 3 3 0.64 0.65 0.00000 7 4 0 4.56 4.56 180.00000 2 4 5 0.04 0.04 0.00000 4 5 4 0.14 0.14 0.00000 5 7 2 1.62 1.61 180.00000 4 7 3 0.03 0.03 180.00000 7 2 2 40.77 40.56 0.00000 2 10 1 0.59 0.59 180.00000 5 3 4 1.82 1.82 0.00000 2 7 4 3.48 3.47 0.00000 5 8 0 12.83 12.79 180.00000 3 3 5 6.94 6.93 180.00000 3 9 2 0.93 0.93 0.00000 3 8 3 5.06 5.05 0.00000 7 4 1 1.07 1.06 0.00000 1 5 5 11.37 11.35 0.00000 1 9 3 3.68 3.66 0.00000 0 10 2 4.88 4.84 180.00000 5 6 3 0.02 0.02 180.00000 4 9 1 0.55 0.55 0.00000 5 8 1 1.22 1.22 0.00000 6 4 3 1.62 1.62 0.00000 1 10 2 64.84 64.80 180.00000 7 3 2 0.84 0.84 180.00000 4 1 5 0.33 0.33 0.00000 3 10 0 62.74 62.30 0.00000 6 6 2 3.57 3.57 180.00000 2 5 5 16.26 16.29 180.00000 5 4 4 9.15 9.18 0.00000 3 4 5 2.84 2.85 0.00000 0 8 4 223.22 223.58 0.00000 2 9 3 30.56 30.81 180.00000 4 2 5 0.22 0.22 180.00000 3 10 1 0.36 0.36 180.00000 1 8 4 52.39 53.04 180.00000 6 7 1 1.82 1.84 0.00000 3 7 4 4.50 4.56 0.00000 4 6 4 22.85 23.13 0.00000 2 10 2 8.17 8.24 0.00000 7 5 1 0.11 0.11 180.00000 8 0 0 194.75 196.00 0.00000 7 4 2 9.52 9.53 180.00000 6 0 4 70.40 70.57 180.00000 0 0 6 13.75 13.79 0.00000 1 6 5 4.06 4.07 180.00000 7 0 3 0.35 0.35 180.00000 6 1 4 0.09 0.09 0.00000 6 5 3 2.37 2.37 0.00000 0 1 6 0.76 0.76 180.00000 7 1 3 0.18 0.18 0.00000 4 3 5 0.55 0.55 0.00000 4 9 2 3.87 3.89 0.00000 5 8 2 51.59 51.88 180.00000 4 8 3 0.70 0.70 0.00000 8 2 0 0.02 0.02 0.00000 8 1 1 2.76 2.77 0.00000 1 1 6 2.07 2.08 180.00000 2 8 4 114.48 115.05 180.00000 1 11 1 6.34 6.37 180.00000 6 2 4 14.00 14.10 0.00000 5 5 4 3.16 3.18 0.00000 0 2 6 9.26 9.32 180.00000 5 7 3 4.61 4.64 0.00000 3 5 5 0.08 0.08 180.00000 7 2 3 1.51 1.52 180.00000 8 2 1 0.65 0.66 0.00000 3 9 3 0.06 0.07 0.00000 7 6 0 70.06 70.82 180.00000 1 2 6 85.62 86.49 180.00000 2 6 5 0.16 0.16 180.00000 4 10 0 13.37 13.54 180.00000 2 0 6 183.54 187.16 180.00000 3 10 2 109.05 111.21 0.00000 6 7 2 0.89 0.90 180.00000 7 5 2 0.33 0.33 180.00000 2 1 6 0.84 0.84 0.00000 5 9 1 2.21 2.21 180.00000 4 4 5 0.35 0.35 180.00000 6 3 4 0.85 0.85 0.00000 2 11 1 0.77 0.77 0.00000 0 3 6 0.24 0.24 180.00000 6 8 0 43.70 43.42 180.00000 7 6 1 0.20 0.19 0.00000 1 10 3 0.35 0.35 180.00000 7 3 3 8.80 8.74 0.00000 5 0 5 0.46 0.46 0.00000 4 10 1 0.03 0.03 180.00000 8 3 1 0.18 0.17 0.00000 5 1 5 1.35 1.35 0.00000 1 3 6 13.07 13.05 0.00000 4 7 4 0.04 0.04 0.00000 0 11 2 0.03 0.03 0.00000 2 2 6 7.55 7.54 180.00000 8 0 2 66.26 66.25 0.00000 6 6 3 0.20 0.20 0.00000 6 8 1 0.14 0.14 180.00000 0 9 4 10.47 10.46 180.00000 3 8 4 31.18 31.17 0.00000 8 1 2 1.26 1.25 0.00000 1 7 5 26.56 26.42 180.00000 1 11 2 0.06 0.06 0.00000 5 2 5 0.15 0.15 180.00000 8 4 0 19.79 19.62 180.00000 1 9 4 3.97 3.94 180.00000 5 6 4 91.04 90.85 0.00000 2 10 3 1.05 1.05 180.00000 3 6 5 0.06 0.06 180.00000 6 4 4 371.95 377.83 0.00000 8 2 2 2.26 2.29 180.00000 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