#------------------------------------------------------------------------------ #$Date: 2016-04-07 02:05:12 +0300 (Thu, 07 Apr 2016) $ #$Revision: 181934 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/4/51/38/4513852.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_4513852 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 12.012905(29) _cell_length_b 12.012905(29) _cell_length_c 12.012905(29) _cod_data_source_file Y2p99Ce0p01Al5O12.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, y, z+1/2' '-x, y+1/2, -z+1/2' '-x+1/4, -z+1/4, -y+1/4' '-x+1/4, -z-1/4, y-1/4' '-x+1/4, z+1/4, -y-1/4' '-x+1/4, z-1/4, y+1/4' '-x+1/2, -y, z+1/2' '-x+1/2, -y+1/2, -z+1/2' '-x+1/2, y, -z' '-x+1/2, y+1/2, z' '-x-1/4, -z+1/4, y+1/4' '-x-1/4, -z-1/4, -y-1/4' '-x-1/4, z+1/4, y-1/4' '-x-1/4, z-1/4, -y+1/4' '-y, -z, -x' '-y, -z+1/2, x' '-y, z, x+1/2' '-y, z+1/2, -x+1/2' '-y+1/4, -x+1/4, -z+1/4' '-y+1/4, -x-1/4, z-1/4' '-y+1/4, x+1/4, -z-1/4' '-y+1/4, x-1/4, z+1/4' '-y+1/2, -z, x+1/2' '-y+1/2, -z+1/2, -x+1/2' '-y+1/2, z, -x' '-y+1/2, z+1/2, x' '-y-1/4, -x+1/4, z+1/4' '-y-1/4, -x-1/4, -z-1/4' '-y-1/4, x+1/4, z-1/4' '-y-1/4, x-1/4, -z+1/4' '-z, -x, -y' '-z, -x+1/2, y' '-z, x, y+1/2' '-z, x+1/2, -y+1/2' '-z+1/4, -y+1/4, -x+1/4' '-z+1/4, -y-1/4, x-1/4' '-z+1/4, y+1/4, -x-1/4' '-z+1/4, y-1/4, x+1/4' '-z+1/2, -x, y+1/2' '-z+1/2, -x+1/2, -y+1/2' '-z+1/2, x, -y' '-z+1/2, x+1/2, y' '-z-1/4, -y+1/4, x+1/4' '-z-1/4, -y-1/4, -x-1/4' '-z-1/4, y+1/4, x-1/4' '-z-1/4, y-1/4, -x+1/4' 'z, -x, -y+1/2' 'z, -x+1/2, y+1/2' 'z, x, y' 'z, x+1/2, -y' 'z+1/4, -y+1/4, x-1/4' 'z+1/4, -y-1/4, -x+1/4' 'z+1/4, y+1/4, x+1/4' 'z+1/4, y-1/4, -x-1/4' 'z+1/2, -x, y' 'z+1/2, -x+1/2, -y' 'z+1/2, x, -y+1/2' 'z+1/2, x+1/2, y+1/2' 'z-1/4, -y+1/4, -x-1/4' 'z-1/4, -y-1/4, x+1/4' 'z-1/4, y+1/4, -x+1/4' 'z-1/4, y-1/4, x-1/4' 'y, -z, -x+1/2' 'y, -z+1/2, x+1/2' 'y, z, x' 'y, z+1/2, -x' 'y+1/4, -x+1/4, z-1/4' 'y+1/4, -x-1/4, -z+1/4' 'y+1/4, x+1/4, z+1/4' 'y+1/4, x-1/4, -z-1/4' 'y+1/2, -z, x' 'y+1/2, -z+1/2, -x' 'y+1/2, z, -x+1/2' 'y+1/2, z+1/2, x+1/2' 'y-1/4, -x+1/4, -z-1/4' 'y-1/4, -x-1/4, z+1/4' 'y-1/4, x+1/4, -z+1/4' 'y-1/4, x-1/4, z-1/4' 'x, -y, -z+1/2' 'x, -y+1/2, z+1/2' 'x, y, z' 'x, y+1/2, -z' 'x+1/4, -z+1/4, y-1/4' 'x+1/4, -z-1/4, -y+1/4' 'x+1/4, z+1/4, y+1/4' 'x+1/4, z-1/4, -y-1/4' 'x+1/2, -y, z' 'x+1/2, -y+1/2, -z' 'x+1/2, y, -z+1/2' 'x+1/2, y+1/2, z+1/2' 'x-1/4, -z+1/4, -y-1/4' 'x-1/4, -z-1/4, y+1/4' 'x-1/4, z+1/4, -y+1/4' 'x-1/4, z-1/4, y-1/4' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc 2 1 1 8.22 8.22 180.00000 0 2 2 2.61 2.69 180.00000 3 2 1 13.80 12.65 0.00000 0 0 4 19.09 18.36 0.00000 0 4 2 99.10 102.90 180.00000 3 3 2 0.07 0.06 0.00000 4 2 2 26.71 27.03 0.00000 4 3 1 8.02 6.87 0.00000 5 2 1 39.63 36.12 180.00000 0 4 4 9.10 8.55 180.00000 5 3 2 31.52 29.33 0.00000 6 1 1 26.93 25.06 0.00000 0 6 2 0.81 0.87 180.00000 5 4 1 0.24 0.25 0.00000 6 3 1 5.51 5.74 0.00000 4 4 4 47.54 49.82 180.00000 5 4 3 0.48 0.50 180.00000 0 6 4 97.43 101.75 0.00000 6 3 3 5.04 4.85 180.00000 5 5 2 11.39 10.97 180.00000 7 2 1 10.46 10.07 0.00000 6 4 2 104.88 99.93 0.00000 7 3 2 3.99 3.72 0.00000 6 5 1 12.88 12.00 0.00000 0 0 8 41.64 43.87 0.00000 7 4 1 1.91 1.71 0.00000 0 8 2 0.90 0.86 0.00000 6 5 3 3.38 3.40 180.00000 0 6 6 2.90 2.80 180.00000 8 2 2 1.62 1.56 180.00000 7 4 3 1.08 1.10 180.00000 8 3 1 0.06 0.06 180.00000 7 5 2 3.53 3.40 180.00000 0 8 4 35.76 36.45 0.00000 8 4 2 102.32 102.42 180.00000 6 5 5 6.91 6.86 0.00000 7 6 1 1.62 1.61 180.00000 9 2 1 7.51 7.46 180.00000 6 6 4 30.55 29.68 0.00000 7 5 4 2.73 2.67 0.00000 8 5 1 2.23 2.18 0.00000 7 6 3 7.85 7.82 180.00000 9 3 2 10.62 10.58 0.00000 8 4 4 1.27 1.25 180.00000 8 5 3 4.88 4.63 180.00000 9 4 1 3.98 3.77 0.00000 0 8 6 0.00 0.00 180.00000 7 7 2 6.00 6.20 0.00000 10 1 1 1.09 1.13 180.00000 8 6 2 10.44 10.20 180.00000 0 10 2 12.89 12.59 180.00000 9 4 3 1.12 1.13 180.00000 7 6 5 15.30 14.77 180.00000 9 5 2 6.55 6.33 180.00000 10 3 1 6.52 6.30 180.00000 8 7 1 0.30 0.29 180.00000 8 6 4 82.55 80.23 0.00000 0 10 4 51.53 50.08 0.00000 9 6 1 9.43 9.33 0.00000 10 3 3 4.62 4.57 0.00000 10 4 2 54.16 53.37 0.00000 8 7 3 0.52 0.51 0.00000 9 5 4 0.00 0.00 0.00000 9 6 3 8.37 8.54 0.00000 10 5 1 11.40 11.63 180.00000 11 2 1 9.22 9.41 0.00000 0 8 8 54.24 59.28 0.00000 7 7 6 0.90 0.92 180.00000 9 7 2 4.22 4.29 0.00000 10 5 3 7.97 8.11 0.00000 11 3 2 5.91 6.02 0.00000 8 6 6 4.15 3.89 180.00000 0 10 6 6.10 5.72 180.00000 8 7 5 0.17 0.17 0.00000 11 4 1 0.76 0.76 180.00000 10 6 2 0.93 0.90 180.00000 9 6 5 7.79 7.53 0.00000 8 8 4 19.24 17.87 0.00000 0 0 12 2.78 2.59 0.00000 9 7 4 0.08 0.07 180.00000 9 8 1 1.65 1.54 0.00000 11 4 3 0.11 0.10 180.00000 0 12 2 35.88 36.16 180.00000 10 5 5 2.96 2.84 180.00000 11 5 2 4.92 4.71 180.00000 10 7 1 9.03 8.66 180.00000 10 6 4 36.86 35.19 0.00000 12 2 2 25.91 24.74 0.00000 9 8 3 0.10 0.09 180.00000 12 3 1 1.06 1.04 0.00000 10 7 3 5.59 5.83 0.00000 11 6 1 4.45 4.63 180.00000 0 12 4 1.47 1.42 180.00000 11 5 4 0.05 0.05 180.00000 12 4 2 0.00 0.00 0.00000 0 10 8 0.11 0.10 180.00000 9 7 6 10.33 10.52 180.00000 9 9 2 5.04 5.13 180.00000 11 6 3 14.82 15.09 180.00000 10 8 2 4.11 3.96 180.00000 9 8 5 0.58 0.58 180.00000 12 5 1 0.01 0.01 0.00000 10 7 5 3.98 4.01 180.00000 11 7 2 7.76 7.82 0.00000 13 2 1 2.52 2.54 180.00000 12 4 4 43.72 42.44 180.00000 12 5 3 0.88 0.84 0.00000 10 8 4 77.33 71.17 180.00000 0 12 6 28.62 26.34 180.00000 11 6 5 5.57 5.56 180.00000 10 9 1 5.51 5.51 180.00000 13 3 2 7.25 7.25 0.00000 12 6 2 24.65 24.09 0.00000 11 7 4 1.84 1.79 180.00000 11 8 1 0.21 0.20 180.00000 13 4 1 0.02 0.02 180.00000 10 9 3 3.26 3.22 0.00000 8 8 8 28.72 28.18 0.00000 9 8 7 0.10 0.09 180.00000 11 8 3 0.10 0.10 180.00000 13 4 3 0.40 0.38 180.00000 12 7 1 0.00 0.00 0.00000 12 6 4 0.12 0.12 180.00000 9 9 6 0.24 0.24 0.00000 10 7 7 1.76 1.74 0.00000 13 5 2 1.14 1.12 180.00000 14 1 1 2.31 2.28 0.00000 10 8 6 2.90 2.86 180.00000 0 10 10 0.03 0.03 0.00000 0 14 2 1.17 1.16 180.00000 12 7 3 1.16 1.11 180.00000 11 7 6 4.42 4.62 180.00000 10 9 5 2.66 2.78 180.00000 11 9 2 5.79 6.05 180.00000 13 6 1 2.68 2.80 0.00000 14 3 1 7.02 7.33 0.00000 0 12 8 12.36 13.32 0.00000 11 8 5 0.76 0.75 0.00000 13 5 4 0.25 0.24 0.00000 12 8 2 52.23 50.54 0.00000 0 14 4 24.08 23.30 0.00000 13 6 3 2.64 2.59 0.00000 14 3 3 1.89 1.85 180.00000