#------------------------------------------------------------------------------ #$Date: 2016-04-06 13:31:37 +0300 (Wed, 06 Apr 2016) $ #$Revision: 181859 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/7/22/19/7221941.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_7221941 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 6.95269(33) _cell_length_b 5.58722(28) _cell_length_c 9.45515(45) _cod_data_source_file Ca0p95Sr0p95Li0p05Ce0p05Si0p99Al0p01O4.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+1/2, z' 'x, y, z' 'x+1/2, -y+1/2, -z+1/2' 'x+1/2, y, -z+1/2' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc 1 0 1 0.17 0.16 0.00000 0 1 1 0.01 0.01 0.00000 0 0 2 0.32 0.33 0.00000 1 1 1 0.80 0.84 0.00000 1 0 2 0.20 0.20 180.00000 2 0 0 0.81 0.73 180.00000 2 0 1 1.06 1.08 180.00000 1 1 2 4.07 4.27 0.00000 2 1 0 4.96 4.96 0.00000 1 0 3 2.32 1.99 0.00000 2 1 1 12.14 12.03 180.00000 2 0 2 3.25 3.40 180.00000 0 2 0 12.44 12.62 180.00000 0 1 3 20.03 20.50 0.00000 1 1 3 0.04 0.05 0.00000 2 1 2 2.02 2.01 0.00000 1 2 1 0.22 0.21 180.00000 0 2 2 2.69 2.74 180.00000 0 0 4 0.68 0.74 180.00000 2 0 3 8.02 8.16 180.00000 1 2 2 8.50 7.78 0.00000 3 0 1 12.70 11.62 180.00000 1 0 4 5.54 5.33 180.00000 2 2 0 0.36 0.36 180.00000 2 1 3 0.27 0.28 180.00000 2 2 1 3.87 3.83 0.00000 3 1 1 1.04 1.07 0.00000 3 0 2 2.22 2.23 180.00000 1 1 4 2.40 2.45 180.00000 1 2 3 4.23 4.30 180.00000 2 2 2 12.79 12.81 0.00000 2 0 4 1.95 1.82 0.00000 3 1 2 0.97 0.90 180.00000 3 0 3 1.19 1.10 0.00000 2 1 4 1.19 1.18 180.00000 0 3 1 0.00 0.00 0.00000 1 0 5 4.26 3.96 180.00000 0 2 4 0.22 0.23 0.00000 2 2 3 12.00 11.88 0.00000 0 1 5 3.24 3.21 0.00000 3 1 3 0.01 0.01 0.00000 1 3 1 1.09 1.05 180.00000 3 2 1 11.12 10.74 0.00000 1 2 4 0.74 0.75 0.00000 4 0 0 1.05 1.12 0.00000 1 1 5 0.93 0.93 180.00000 4 0 1 0.77 0.82 0.00000 1 3 2 3.24 3.39 180.00000 3 2 2 0.21 0.20 0.00000 2 0 5 3.44 3.30 180.00000 4 1 0 2.93 2.79 180.00000 3 0 4 0.02 0.02 180.00000 2 3 0 3.51 3.34 180.00000 4 1 1 3.56 3.04 180.00000 4 0 2 3.25 2.70 180.00000 2 3 1 6.03 5.78 0.00000 0 3 3 11.34 10.90 180.00000 2 2 4 1.26 1.22 180.00000 2 1 5 0.70 0.72 180.00000 3 1 4 14.94 15.35 180.00000 0 0 6 2.40 2.45 180.00000 4 1 2 2.59 2.34 180.00000 1 3 3 0.00 0.00 180.00000 3 2 3 0.22 0.22 180.00000 2 3 2 1.45 1.48 180.00000 1 0 6 0.21 0.21 180.00000 1 2 5 6.73 6.72 0.00000 4 0 3 4.62 4.35 0.00000 1 1 6 2.46 2.65 0.00000 4 2 0 0.09 0.09 180.00000 4 1 3 0.74 0.82 0.00000 3 0 5 0.01 0.01 0.00000 4 2 1 3.81 3.86 180.00000 2 3 3 1.05 1.07 0.00000 2 0 6 1.67 1.61 0.00000 3 3 1 0.61 0.59 180.00000 1 3 4 0.41 0.40 0.00000 2 2 5 2.93 3.01 0.00000 3 2 4 1.88 1.98 0.00000 3 1 5 0.79 0.83 180.00000 4 2 2 1.76 1.85 0.00000 4 0 4 0.11 0.11 0.00000 0 4 0 8.26 7.97 0.00000 2 1 6 4.72 4.77 180.00000 3 3 2 0.52 0.51 0.00000 5 0 1 0.01 0.01 180.00000 0 2 6 7.64 7.66 0.00000 4 1 4 1.02 1.05 0.00000 1 4 1 0.57 0.57 0.00000 2 3 4 0.73 0.72 0.00000 1 2 6 0.61 0.62 0.00000 0 4 2 0.12 0.13 0.00000 4 2 3 7.38 7.06 180.00000 5 1 1 5.76 5.47 180.00000 5 0 2 4.26 4.02 0.00000 0 3 5 1.99 1.97 180.00000 1 0 7 0.10 0.09 0.00000 3 3 3 0.07 0.07 180.00000 1 4 2 0.24 0.24 180.00000 0 1 7 1.92 1.93 180.00000 1 3 5 0.36 0.38 0.00000 3 0 6 0.08 0.09 180.00000 3 2 5 0.11 0.12 180.00000 5 1 2 0.76 0.78 0.00000 2 4 0 0.89 0.91 180.00000 1 1 7 0.75 0.76 180.00000 2 4 1 0.79 0.76 180.00000 4 0 5 2.54 2.32 0.00000 2 2 6 8.35 7.49 180.00000 5 0 3 0.40 0.37 0.00000 4 3 0 2.25 2.12 0.00000 3 1 6 1.00 0.96 0.00000 4 3 1 2.52 2.45 0.00000 2 0 7 0.23 0.23 0.00000 1 4 3 1.23 1.17 0.00000 4 2 4 0.42 0.41 180.00000 2 4 2 3.30 3.16 180.00000 4 1 5 0.01 0.01 180.00000 5 1 3 0.00 0.00 0.00000 2 3 5 1.07 0.98 0.00000 3 3 4 8.92 8.70 0.00000 5 2 1 0.21 0.21 0.00000 2 1 7 0.07 0.07 180.00000 4 3 2 1.59 1.63 0.00000 5 2 2 4.42 3.99 180.00000 0 4 4 0.53 0.49 180.00000 2 4 3 5.44 5.25 180.00000 5 0 4 3.52 3.41 0.00000 1 2 7 0.02 0.02 180.00000 3 4 1 4.89 4.87 180.00000 1 3 6 1.83 1.82 180.00000 1 4 4 2.42 2.41 180.00000 0 0 8 4.25 4.42 180.00000 3 2 6 0.01 0.01 0.00000 4 3 3 0.20 0.21 180.00000 5 1 4 1.93 1.82 180.00000 4 0 6 0.72 0.72 0.00000 3 0 7 5.57 5.65 0.00000 1 0 8 0.39 0.41 0.00000 4 2 5 1.71 1.76 180.00000 3 4 2 1.32 1.32 180.00000 6 0 0 2.92 2.88 0.00000 5 2 3 2.36 2.29 180.00000 3 3 5 0.84 0.80 0.00000 6 0 1 0.10 0.09 0.00000 2 2 7 0.16 0.15 180.00000 4 1 6 4.41 4.22 0.00000 3 1 7 0.46 0.44 180.00000 1 1 8 1.86 1.79 180.00000 2 3 6 3.53 3.52 0.00000 2 4 4 1.41 1.41 0.00000 6 1 0 0.20 0.20 0.00000 6 1 1 0.32 0.31 180.00000 6 0 2 0.09 0.08 0.00000 5 0 5 0.91 0.84 180.00000 4 3 4 0.73 0.68 180.00000 2 0 8 0.02 0.02 0.00000 3 4 3 0.80 0.75 0.00000 0 5 1 0.09 0.09 0.00000 1 4 5 3.28 3.25 180.00000 5 3 1 4.11 3.92 0.00000 6 1 2 0.00 0.00 0.00000 5 2 4 9.06 8.56 180.00000 5 1 5 2.43 2.40 0.00000 2 1 8 1.75 1.74 180.00000 1 5 1 0.52 0.51 0.00000 0 3 7 1.41 1.38 0.00000 4 4 0 0.33 0.31 0.00000 0 2 8 5.14 4.91 0.00000 6 0 3 0.08 0.07 180.00000 5 3 2 0.72 0.68 180.00000 4 4 1 0.77 0.74 0.00000 1 3 7 0.80 0.78 0.00000 4 2 6 0.34 0.34 180.00000 3 2 7 10.02 10.10 180.00000 1 2 8 0.12 0.12 180.00000 1 5 2 1.80 1.81 0.00000 6 2 0 5.72 5.61 180.00000 2 4 5 2.36 2.27 180.00000 3 3 6 0.61 0.58 180.00000 6 1 3 5.53 5.22 0.00000 3 4 4 0.09 0.08 180.00000 4 0 7 0.18 0.17 180.00000 2 5 0 1.87 1.75 0.00000 6 2 1 0.06 0.06 0.00000 4 4 2 2.14 2.02 180.00000 2 5 1 3.29 3.18 180.00000 4 3 5 0.04 0.04 0.00000 0 5 3 4.07 4.06 0.00000 3 0 8 0.13 0.13 0.00000 5 3 3 0.01 0.01 0.00000 4 1 7 0.39 0.39 180.00000 0 4 6 1.88 1.82 180.00000 6 2 2 0.00 0.00 180.00000 2 3 7 0.01 0.01 0.00000 5 0 6 0.20 0.19 0.00000 1 5 3 0.09 0.08 0.00000 6 0 4 0.02 0.02 180.00000 5 2 5 2.15 2.05 0.00000 1 0 9 0.28 0.27 180.00000 2 2 8 0.05 0.04 0.00000 2 5 2 0.95 0.92 0.00000 3 1 8 0.17 0.18 0.00000 1 4 6 0.13 0.14 180.00000 0 1 9 0.98 1.02 180.00000 4 4 3 3.61 3.61 0.00000 5 1 6 1.40 1.35 0.00000 6 1 4 0.01 0.01 180.00000 1 1 9 0.11 0.11 180.00000 6 2 3 0.14 0.14 0.00000 3 4 5 0.01 0.01 0.00000 2 5 3 0.92 0.95 180.00000 5 3 4 0.67 0.70 0.00000 2 0 9 1.57 1.64 0.00000 2 4 6 2.20 2.27 0.00000 3 5 1 0.39 0.40 0.00000 1 5 4 0.00 0.00 0.00000 4 2 7 0.05 0.05 0.00000 2 1 9 6.00 5.77 0.00000 4 3 6 3.28 3.12 180.00000 4 4 4 0.13 0.12 0.00000 3 3 7 0.27 0.26 0.00000 6 0 5 0.06 0.05 180.00000 1 3 8 1.37 1.28 0.00000 7 0 1 0.48 0.44 0.00000 3 2 8 0.59 0.56 180.00000 3 5 2 0.33 0.32 180.00000 6 3 0 0.14 0.14 180.00000 5 4 1 0.02 0.02 0.00000 6 3 1 0.10 0.10 0.00000 4 0 8 0.29 0.29 180.00000 5 2 6 0.08 0.08 180.00000 6 2 4 0.02 0.02 0.00000 1 2 9 0.35 0.35 0.00000 6 1 5 0.92 0.93 0.00000 7 1 1 1.80 1.83 0.00000 7 0 2 1.54 1.55 180.00000 2 5 4 0.38 0.38 180.00000 5 0 7 0.41 0.41 0.00000 5 4 2 3.36 3.41 0.00000 6 3 2 0.00 0.00 0.00000 4 1 8 1.08 1.08 0.00000 0 5 5 0.87 0.87 0.00000 1 4 7 0.00 0.00 180.00000 5 3 5 2.19 2.11 180.00000 2 3 8 1.51 1.43 0.00000 3 5 3 0.00 0.00 180.00000 7 1 2 3.43 3.15 0.00000 3 0 9 0.30 0.27 0.00000 5 1 7 4.05 3.83 0.00000 1 5 5 0.48 0.47 180.00000 3 4 6 0.05 0.05 180.00000 7 0 3 0.89 0.90 0.00000 2 2 9 2.49 2.53 180.00000 0 0 10 0.44 0.45 0.00000 4 4 5 1.87 1.90 0.00000 3 1 9 0.01 0.01 180.00000 5 4 3 0.34 0.33 0.00000 4 5 0 1.22 1.19 180.00000 6 3 3 3.31 3.20 180.00000 1 0 10 0.37 0.36 0.00000 4 5 1 0.79 0.76 180.00000 2 4 7 0.26 0.25 0.00000 7 1 3 0.08 0.08 0.00000 6 0 6 0.97 0.94 180.00000 6 2 5 0.02 0.02 180.00000 7 2 1 1.46 1.45 180.00000 0 6 0 1.40 1.39 180.00000 2 5 5 0.72 0.70 180.00000 3 5 4 3.59 3.51 180.00000 4 3 7 0.36 0.35 0.00000 1 1 10 0.33 0.33 180.00000 4 2 8 0.06 0.06 0.00000 4 5 2 0.95 0.97 180.00000 6 1 6 0.05 0.05 180.00000 1 6 1 0.30 0.29 180.00000 7 2 2 2.32 2.22 0.00000 3 3 8 0.13 0.12 180.00000 7 0 4 0.96 0.85 180.00000 5 2 7 0.26 0.22 180.00000 0 3 9 0.70 0.61 0.00000 0 6 2 0.29 0.26 180.00000 2 0 10 0.34 0.32 0.00000 5 3 6 0.93 0.92 180.00000 5 4 4 3.24 3.21 0.00000 6 3 4 0.01 0.01 0.00000 1 3 9 0.12 0.12 0.00000 1 6 2 0.74 0.73 0.00000 3 2 9 0.14 0.13 180.00000 1 5 6 0.97 0.91 0.00000 7 1 4 0.02 0.02 0.00000 0 4 8 3.41 3.08 180.00000 4 5 3 0.01 0.01 180.00000 5 0 8 0.80 0.75 180.00000 2 1 10 0.18 0.17 0.00000 2 6 0 0.12 0.11 0.00000 4 0 9 1.71 1.64 180.00000 7 2 3 0.51 0.52 180.00000 4 4 6 0.82 0.86 0.00000 0 2 10 0.83 0.86 180.00000 3 4 7 3.75 3.89 0.00000 2 6 1 0.56 0.58 0.00000 1 4 8 0.39 0.40 0.00000 6 4 0 2.00 2.01 0.00000 5 1 8 0.46 0.45 180.00000 3 5 5 0.20 0.20 180.00000 1 2 10 1.32 1.29 180.00000 6 4 1 0.06 0.06 0.00000 4 1 9 1.50 1.47 0.00000