#------------------------------------------------------------------------------ #$Date: 2016-04-06 13:31:37 +0300 (Wed, 06 Apr 2016) $ #$Revision: 181859 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/7/22/19/7221940.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_7221940 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 6.94901(31) _cell_length_b 5.59224(27) _cell_length_c 9.46525(43) _cod_data_source_file Ca0p95Sr0p95Li0p05Ce0p05Si0p9Al0p1O4.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 0.14 0.14 0.00000 0 1 1 0.00 0.00 0.00000 0 0 2 0.24 0.24 0.00000 1 1 1 0.71 0.75 0.00000 1 0 2 0.22 0.20 180.00000 2 0 0 0.56 0.53 180.00000 2 0 1 0.91 0.93 180.00000 1 1 2 4.50 4.61 0.00000 2 1 0 4.74 4.83 0.00000 1 0 3 1.53 1.47 0.00000 2 1 1 13.51 13.23 180.00000 2 0 2 2.85 2.97 180.00000 0 2 0 12.05 12.65 180.00000 0 1 3 20.41 20.16 0.00000 1 1 3 0.14 0.14 0.00000 2 1 2 1.69 1.73 0.00000 1 2 1 0.16 0.16 180.00000 0 2 2 2.35 2.28 180.00000 0 0 4 0.68 0.69 180.00000 2 0 3 8.46 8.32 180.00000 1 2 2 7.97 7.71 0.00000 3 0 1 11.59 11.24 180.00000 1 0 4 5.13 5.08 180.00000 2 2 0 0.55 0.47 180.00000 2 1 3 0.25 0.26 180.00000 2 2 1 4.14 4.00 0.00000 3 1 1 1.00 0.98 0.00000 3 0 2 2.42 2.40 180.00000 1 1 4 2.87 2.85 180.00000 1 2 3 4.24 4.09 180.00000 2 2 2 12.08 12.23 0.00000 2 0 4 2.66 2.62 0.00000 3 1 2 0.67 0.66 180.00000 3 0 3 1.13 1.17 0.00000 2 1 4 1.16 1.17 180.00000 0 3 1 0.04 0.04 0.00000 1 0 5 4.74 4.85 180.00000 0 2 4 0.24 0.24 0.00000 2 2 3 12.58 12.27 0.00000 0 1 5 2.72 2.65 0.00000 3 1 3 0.01 0.01 0.00000 1 3 1 1.28 1.23 180.00000 3 2 1 10.20 9.88 0.00000 1 2 4 0.70 0.67 0.00000 4 0 0 0.95 0.96 0.00000 1 1 5 0.78 0.78 180.00000 4 0 1 0.96 0.92 0.00000 1 3 2 3.57 3.51 180.00000 3 2 2 0.39 0.38 0.00000 2 0 5 3.00 2.99 180.00000 4 1 0 2.67 2.61 180.00000 3 0 4 0.02 0.02 180.00000 2 3 0 4.05 3.84 180.00000 4 1 1 3.44 3.34 180.00000 4 0 2 2.75 2.69 180.00000 2 3 1 6.67 6.30 0.00000 0 3 3 10.73 10.87 180.00000 2 2 4 2.00 1.99 180.00000 2 1 5 0.45 0.45 180.00000 3 1 4 14.63 14.63 180.00000 0 0 6 2.26 2.29 180.00000 4 1 2 2.88 2.70 180.00000 1 3 3 0.00 0.00 180.00000 3 2 3 0.23 0.21 180.00000 2 3 2 1.34 1.28 180.00000 1 0 6 0.25 0.21 180.00000 1 2 5 8.65 8.05 0.00000 4 0 3 4.41 4.19 0.00000 1 1 6 2.31 2.36 0.00000 4 2 0 0.11 0.11 180.00000 4 1 3 0.80 0.86 0.00000 3 0 5 0.00 0.00 180.00000 4 2 1 4.38 4.54 180.00000 2 3 3 0.83 0.86 0.00000 2 0 6 1.73 1.75 0.00000 3 3 1 0.49 0.49 180.00000 1 3 4 0.48 0.47 0.00000 2 2 5 2.40 2.48 0.00000 3 2 4 1.65 1.76 0.00000 3 1 5 1.00 1.05 180.00000 4 2 2 2.08 2.17 0.00000 4 0 4 0.29 0.27 0.00000 0 4 0 8.77 8.38 0.00000 2 1 6 4.65 4.67 180.00000 3 3 2 0.26 0.25 0.00000 5 0 1 0.04 0.04 180.00000 0 2 6 8.14 7.53 0.00000 4 1 4 1.19 1.19 0.00000 1 4 1 0.57 0.58 0.00000 2 3 4 0.92 0.92 0.00000 1 2 6 0.64 0.65 0.00000 0 4 2 0.04 0.04 0.00000 4 2 3 7.53 6.78 180.00000 5 1 1 5.55 4.97 180.00000 5 0 2 3.87 3.48 0.00000 0 3 5 1.87 1.83 180.00000 1 0 7 0.11 0.11 0.00000 3 3 3 0.08 0.08 180.00000 1 4 2 0.27 0.27 180.00000 0 1 7 1.81 1.83 180.00000 1 3 5 0.39 0.40 0.00000 3 0 6 0.09 0.09 180.00000 3 2 5 0.04 0.04 180.00000 5 1 2 0.83 0.81 0.00000 2 4 0 0.75 0.73 180.00000 1 1 7 0.74 0.78 180.00000 2 4 1 0.73 0.74 180.00000 4 0 5 2.12 2.13 0.00000 2 2 6 7.70 7.61 180.00000 5 0 3 0.29 0.28 0.00000 4 3 0 2.38 2.31 0.00000 3 1 6 0.93 0.91 0.00000 4 3 1 2.84 2.78 0.00000 2 0 7 0.45 0.44 0.00000 1 4 3 1.39 1.35 0.00000 4 2 4 0.59 0.57 180.00000 2 4 2 3.53 3.45 180.00000 4 1 5 0.01 0.01 180.00000 5 1 3 0.04 0.04 0.00000 2 3 5 0.99 1.02 0.00000 3 3 4 9.12 9.16 0.00000 5 2 1 0.35 0.36 0.00000 2 1 7 0.01 0.01 0.00000 4 3 2 1.71 1.72 0.00000 5 2 2 4.25 3.95 180.00000 0 4 4 0.62 0.58 180.00000 2 4 3 5.97 5.70 180.00000 5 0 4 3.54 3.42 0.00000 1 2 7 0.03 0.03 180.00000 3 4 1 5.14 4.81 180.00000 1 3 6 2.17 2.05 180.00000 1 4 4 2.56 2.44 180.00000 0 0 8 3.97 3.89 180.00000 3 2 6 0.00 0.00 0.00000 4 3 3 0.20 0.19 180.00000 5 1 4 2.12 2.03 180.00000 4 0 6 0.86 0.85 0.00000 3 0 7 5.45 5.35 0.00000 1 0 8 0.46 0.45 0.00000 4 2 5 1.48 1.43 180.00000 3 4 2 1.43 1.41 180.00000 6 0 0 3.04 3.05 0.00000 5 2 3 2.29 2.30 180.00000 3 3 5 0.94 0.92 0.00000 6 0 1 0.16 0.16 0.00000 2 2 7 0.34 0.34 180.00000 4 1 6 4.63 4.50 0.00000 3 1 7 0.29 0.28 180.00000 1 1 8 2.49 2.44 180.00000 2 3 6 3.43 3.39 0.00000 2 4 4 1.73 1.71 0.00000 6 1 0 0.28 0.28 0.00000 6 1 1 0.35 0.32 180.00000 6 0 2 0.06 0.06 0.00000 5 0 5 0.89 0.85 180.00000 4 3 4 1.04 1.00 180.00000 2 0 8 0.00 0.00 180.00000 3 4 3 1.09 1.05 0.00000 0 5 1 0.08 0.08 0.00000 1 4 5 3.76 3.77 180.00000 5 3 1 3.88 3.89 0.00000 6 1 2 0.01 0.01 180.00000 5 2 4 8.14 8.14 180.00000 5 1 5 2.15 2.09 0.00000 2 1 8 1.53 1.49 180.00000 1 5 1 0.52 0.50 0.00000 0 3 7 1.76 1.65 0.00000 4 4 0 0.35 0.30 0.00000 0 2 8 4.86 4.23 0.00000 6 0 3 0.09 0.08 180.00000 5 3 2 0.60 0.54 180.00000 4 4 1 0.96 0.90 0.00000 1 3 7 0.68 0.64 0.00000 4 2 6 0.54 0.54 180.00000 3 2 7 10.02 10.00 180.00000 1 2 8 0.15 0.15 180.00000 1 5 2 2.27 2.25 0.00000 6 2 0 5.54 5.49 180.00000 2 4 5 2.17 2.15 180.00000 3 3 6 0.69 0.67 180.00000 6 1 3 5.64 5.35 0.00000 3 4 4 0.06 0.05 180.00000 4 0 7 0.30 0.28 180.00000 2 5 0 1.93 1.87 0.00000 6 2 1 0.02 0.02 0.00000 4 4 2 2.42 2.47 180.00000 2 5 1 3.99 4.03 180.00000 4 3 5 0.08 0.08 0.00000 0 5 3 4.77 4.77 0.00000 3 0 8 0.20 0.20 0.00000 5 3 3 0.00 0.00 180.00000 4 1 7 0.28 0.27 180.00000 0 4 6 1.96 1.93 180.00000 6 2 2 0.00 0.00 0.00000 2 3 7 0.01 0.01 180.00000 5 0 6 0.06 0.06 0.00000 1 5 3 0.17 0.16 0.00000 6 0 4 0.01 0.01 180.00000 5 2 5 2.17 2.16 0.00000 1 0 9 0.24 0.24 180.00000 2 2 8 0.15 0.15 0.00000 2 5 2 0.98 0.99 0.00000 3 1 8 0.01 0.01 0.00000 1 4 6 0.13 0.14 180.00000 0 1 9 0.68 0.70 180.00000 4 4 3 3.76 3.62 0.00000 5 1 6 1.41 1.36 0.00000 6 1 4 0.01 0.01 180.00000 1 1 9 0.15 0.14 180.00000 6 2 3 0.15 0.15 0.00000 3 4 5 0.00 0.00 180.00000 2 5 3 0.93 0.91 180.00000 5 3 4 0.76 0.73 0.00000 2 0 9 1.78 1.74 0.00000 2 4 6 2.21 2.31 0.00000 3 5 1 0.39 0.41 0.00000 1 5 4 0.01 0.01 180.00000 4 2 7 0.11 0.11 0.00000 2 1 9 6.41 6.33 0.00000 4 3 6 3.11 3.09 180.00000 4 4 4 0.19 0.19 0.00000 3 3 7 0.22 0.22 0.00000 6 0 5 0.02 0.02 180.00000 1 3 8 1.67 1.66 0.00000 7 0 1 0.51 0.51 0.00000 3 2 8 0.68 0.69 180.00000 3 5 2 0.37 0.38 180.00000 6 3 0 0.26 0.26 180.00000 5 4 1 0.01 0.01 0.00000 6 3 1 0.16 0.16 0.00000 4 0 8 0.24 0.24 180.00000 5 2 6 0.00 0.00 180.00000 6 2 4 0.00 0.00 0.00000 1 2 9 0.32 0.32 0.00000 6 1 5 0.92 0.92 0.00000 7 1 1 1.56 1.57 0.00000 7 0 2 1.38 1.39 180.00000 2 5 4 0.41 0.41 180.00000 5 0 7 0.48 0.49 0.00000 5 4 2 3.21 3.21 0.00000 6 3 2 0.01 0.01 0.00000 4 1 8 0.83 0.82 0.00000 0 5 5 0.61 0.60 0.00000 1 4 7 0.00 0.00 0.00000 5 3 5 1.92 1.86 180.00000 2 3 8 1.34 1.30 0.00000 3 5 3 0.00 0.00 180.00000 7 1 2 3.55 3.33 0.00000 3 0 9 0.23 0.22 0.00000 5 1 7 3.72 3.52 0.00000 1 5 5 0.53 0.51 180.00000 3 4 6 0.05 0.05 180.00000 7 0 3 0.73 0.73 0.00000 2 2 9 2.70 2.70 180.00000 0 0 10 0.59 0.59 0.00000 4 4 5 1.76 1.73 0.00000 3 1 9 0.00 0.00 180.00000 5 4 3 0.44 0.42 0.00000 4 5 0 1.10 1.05 180.00000 6 3 3 3.69 3.54 180.00000 1 0 10 0.40 0.38 0.00000 4 5 1 1.12 1.07 180.00000 2 4 7 0.47 0.45 0.00000 7 1 3 0.14 0.14 0.00000 6 0 6 0.88 0.86 180.00000 6 2 5 0.05 0.05 180.00000 7 2 1 1.61 1.57 180.00000 0 6 0 1.72 1.70 180.00000 2 5 5 0.61 0.59 180.00000 3 5 4 3.92 3.77 180.00000 4 3 7 0.35 0.33 0.00000 1 1 10 0.33 0.32 180.00000 4 2 8 0.04 0.04 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