#------------------------------------------------------------------------------ #$Date: 2016-04-06 15:35:39 +0300 (Wed, 06 Apr 2016) $ #$Revision: 181862 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/52/93/1529337.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_1529337 _cell_angle_alpha 90 _cell_angle_beta 107.0901(17) _cell_angle_gamma 90 _cell_length_a 9.83633(33) _cell_length_b 9.06851(30) _cell_length_c 5.34709(18) _cod_data_source_file NaScSi2O6_Eu.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+1/2' '-x+1/2, -y+1/2, -z' '-x+1/2, y+1/2, -z+1/2' 'x, -y, z+1/2' 'x, y, z' 'x+1/2, -y+1/2, z+1/2' 'x+1/2, y+1/2, z' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc 1 1 0 7.14 7.04 0.00000 2 0 0 0.26 0.28 0.00000 0 2 0 16.81 15.94 0.00000 1 -1 -1 13.04 12.20 0.00000 1 1 1 10.66 9.87 0.00000 0 2 1 6.18 5.32 180.00000 2 2 0 18.93 20.46 180.00000 2 -2 -1 229.66 228.69 0.00000 3 1 0 99.90 100.46 0.00000 3 -1 -1 19.75 21.79 180.00000 1 3 0 1.75 1.78 180.00000 1 -3 -1 63.25 57.85 0.00000 2 0 -2 2.37 2.19 0.00000 1 -1 -2 1.09 1.09 180.00000 0 0 2 122.68 118.27 180.00000 2 2 1 108.24 113.77 0.00000 1 3 1 0.46 0.50 0.00000 4 0 0 0.95 1.04 0.00000 3 1 1 19.30 19.94 180.00000 3 -1 -2 0.96 0.95 180.00000 0 4 0 1.40 1.37 180.00000 2 -2 -2 0.15 0.15 0.00000 1 1 2 57.51 55.55 180.00000 0 2 2 14.54 14.24 0.00000 3 3 0 7.63 7.11 0.00000 3 -3 -1 75.35 72.42 0.00000 4 -2 -1 44.20 44.01 0.00000 4 2 0 0.76 0.72 180.00000 0 4 1 55.33 52.29 180.00000 4 0 -2 42.84 43.43 180.00000 2 4 0 5.70 5.56 180.00000 2 0 2 24.76 22.68 180.00000 1 -3 -2 1.26 1.23 180.00000 2 -4 -1 24.52 24.73 0.00000 5 -1 -1 16.57 17.28 0.00000 4 -2 -2 8.94 9.16 180.00000 3 3 1 10.65 11.11 0.00000 3 -3 -2 14.88 14.44 0.00000 5 1 0 18.72 17.15 180.00000 2 2 2 5.77 5.49 0.00000 1 3 2 8.22 8.49 180.00000 2 4 1 8.48 8.64 0.00000 1 5 0 69.65 70.91 180.00000 4 2 1 18.64 18.88 0.00000 5 -1 -2 0.05 0.05 180.00000 1 -1 -3 3.05 3.29 180.00000 3 1 2 23.71 25.50 180.00000 1 -5 -1 2.06 2.20 0.00000 2 -4 -2 0.18 0.19 0.00000 0 4 2 46.80 46.79 0.00000 3 -1 -3 10.02 10.02 0.00000 4 -4 -1 0.47 0.47 0.00000 2 -2 -3 124.53 125.35 180.00000 1 5 1 0.05 0.05 180.00000 5 -3 -1 99.65 97.86 0.00000 4 4 0 64.36 64.23 180.00000 5 3 0 0.04 0.04 180.00000 0 2 3 2.49 2.34 180.00000 5 1 1 10.56 10.18 0.00000 1 1 3 11.60 11.73 180.00000 3 5 0 27.69 28.01 180.00000 6 0 0 36.02 35.95 0.00000 3 -5 -1 6.44 6.42 180.00000 6 0 -2 32.74 32.54 180.00000 6 -2 -1 16.19 15.02 0.00000 5 -3 -2 1.49 1.38 180.00000 4 -2 -3 4.32 4.26 180.00000 1 -3 -3 75.83 75.62 180.00000 4 -4 -2 12.63 12.82 0.00000 4 0 2 30.92 32.01 180.00000 0 6 0 41.27 41.97 180.00000 3 3 2 4.63 4.71 0.00000 2 4 2 0.10 0.10 180.00000 1 -5 -2 5.30 5.38 0.00000 3 -3 -3 12.71 12.97 180.00000 6 2 0 0.02 0.02 180.00000 5 -1 -3 16.08 16.21 180.00000 6 -2 -2 10.79 10.83 0.00000 4 4 1 0.66 0.66 180.00000 0 6 1 1.89 1.89 180.00000 4 2 2 23.62 24.79 180.00000 3 5 1 11.56 12.12 180.00000 2 6 0 2.52 2.59 0.00000 3 -5 -2 72.89 73.61 0.00000 5 3 1 141.65 146.32 0.00000 1 5 2 16.03 16.46 0.00000 2 -6 -1 4.07 4.22 180.00000 1 3 3 5.95 5.83 180.00000 2 -4 -3 27.32 28.29 180.00000 2 2 3 36.61 37.21 180.00000 7 -1 -1 0.08 0.08 180.00000 0 4 3 3.79 3.66 0.00000 2 6 1 2.18 2.27 180.00000 7 -1 -2 75.73 79.42 180.00000 5 -3 -3 27.02 28.01 180.00000 2 0 -4 4.84 4.97 180.00000 5 -5 -1 1.33 1.36 0.00000 7 1 0 21.91 21.82 0.00000 6 -4 -1 0.03 0.03 180.00000 6 2 1 27.28 26.76 0.00000 3 1 3 2.37 2.30 0.00000 5 1 2 7.99 7.63 0.00000 4 -4 -3 4.16 4.02 0.00000 3 -1 -4 51.10 52.92 0.00000 6 -2 -3 3.72 3.85 180.00000 5 5 0 0.33 0.33 0.00000 1 -1 -4 0.75 0.76 180.00000 2 -6 -2 32.44 33.10 180.00000 0 6 2 83.06 85.97 0.00000 4 0 -4 25.72 26.42 0.00000 6 4 0 0.23 0.22 0.00000 1 7 0 0.58 0.57 180.00000 4 -6 -1 0.09 0.09 0.00000 6 -4 -2 9.46 9.36 0.00000 2 -2 -4 2.70 2.67 180.00000 0 0 4 37.58 36.29 0.00000 7 -3 -1 12.65 12.33 180.00000 5 -5 -2 0.50 0.49 0.00000 4 6 0 3.27 3.21 180.00000 1 -5 -3 0.03 0.03 180.00000 4 4 2 15.20 14.73 0.00000 3 5 2 76.94 75.86 0.00000 1 -7 -1 19.56 19.09 180.00000 3 -5 -3 6.10 6.04 0.00000 7 -3 -2 1.19 1.13 180.00000 4 -2 -4 0.26 0.24 0.00000 7 -1 -3 0.43 0.42 0.00000 1 7 1 34.33 34.23 180.00000 2 4 3 2.88 2.87 180.00000 0 2 4 3.52 3.41 0.00000 5 -1 -4 0.59 0.57 180.00000 7 3 0 3.83 3.69 180.00000 3 3 3 0.28 0.27 0.00000 5 3 2 0.46 0.45 0.00000 4 -6 -2 1.46 1.44 0.00000 3 -3 -4 0.99 1.01 0.00000 8 0 -2 3.90 4.03 180.00000 1 -3 -4 0.37 0.38 180.00000 1 1 4 0.41 0.42 180.00000 2 6 2 0.30 0.31 0.00000 5 5 1 2.93 2.99 0.00000 7 1 1 0.37 0.37 0.00000 1 5 3 2.08 2.08 180.00000 3 7 0 0.30 0.30 0.00000 3 -7 -1 0.29 0.30 180.00000 4 6 1 0.53 0.53 180.00000 6 0 2 0.46 0.47 180.00000 8 -2 -1 12.82 13.02 0.00000 6 4 1 2.59 2.62 0.00000 4 2 3 0.63 0.63 180.00000 8 0 0 11.24 11.56 0.00000 6 -4 -3 1.21 1.26 0.00000 6 0 -4 31.46 32.66 0.00000 8 -2 -2 0.18 0.18 0.00000 1 -7 -2 6.31 6.24 180.00000 5 -5 -3 2.41 2.44 180.00000 7 -3 -3 4.68 4.73 0.00000 2 -6 -3 0.46 0.47 0.00000 2 -4 -4 8.40 8.58 180.00000 2 0 4 3.06 3.13 0.00000 6 2 2 3.53 3.62 0.00000 5 -3 -4 0.41 0.41 180.00000 3 7 1 1.02 1.03 180.00000 8 2 0 0.32 0.32 180.00000 6 -2 -4 0.73 0.74 0.00000 3 -7 -2 3.54 3.59 0.00000 0 8 0 0.71 0.72 0.00000 1 3 4 2.73 2.75 180.00000 0 6 3 0.16 0.16 0.00000 1 7 2 0.86 0.86 180.00000 7 3 1 2.40 2.40 180.00000 4 -4 -4 11.97 11.95 180.00000 2 2 4 4.62 4.48 180.00000 0 4 4 4.85 4.72 180.00000 6 -6 -1 1.64 1.60 180.00000 7 -5 -1 0.85 0.83 180.00000 0 8 1 1.89 1.89 0.00000 4 -6 -3 2.33 2.33 0.00000 5 1 3 1.29 1.30 180.00000 2 8 0 0.69 0.70 0.00000 8 -2 -3 25.06 25.29 180.00000 7 -1 -4 11.85 11.96 0.00000 2 -8 -1 41.16 41.27 180.00000 7 -5 -2 39.56 38.15 0.00000 6 6 0 0.87 0.85 180.00000 6 -6 -2 27.89 28.48 0.00000 5 -7 -1 33.62 33.38 180.00000 9 -1 -1 1.32 1.30 0.00000 7 5 0 63.62 61.49 180.00000 8 -4 -1 0.21 0.21 0.00000 3 5 3 3.57 3.43 0.00000 9 -1 -2 2.03 1.94 0.00000 5 5 2 0.13 0.13 180.00000 4 4 3 3.11 3.06 0.00000 4 6 2 0.76 0.74 0.00000 3 -5 -4 20.18 19.76 180.00000 3 1 4 28.48 27.68 0.00000 8 -4 -2 1.36 1.31 0.00000 5 7 0 12.91 12.48 0.00000 1 -5 -4 1.45 1.41 180.00000 2 8 1 15.28 14.93 180.00000 3 -1 -5 2.01 1.96 180.00000 7 1 2 22.34 22.10 180.00000 2 6 3 5.89 6.12 0.00000 6 4 2 4.96 5.14 0.00000 8 2 1 12.66 12.88 0.00000 5 -7 -2 6.17 6.24 180.00000 1 -7 -3 15.14 14.93 0.00000 8 4 0 0.20 0.20 180.00000 1 -1 -5 0.72 0.70 0.00000 5 3 3 42.67 41.45 180.00000 6 -4 -4 0.11 0.11 180.00000 3 7 2 10.01 9.79 0.00000 2 -8 -2 4.44 4.36 180.00000 9 1 0 2.97 2.92 0.00000 2 -2 -5 20.76 20.39 0.00000 0 8 2 0.27 0.27 0.00000 3 -7 -3 0.20 0.19 0.00000 7 -3 -4 1.84 1.83 180.00000 4 -2 -5 0.81 0.83 0.00000 9 -1 -3 1.25 1.29 180.00000 8 0 -4 0.41 0.43 180.00000 7 -5 -3 2.05 2.12 0.00000 5 -1 -5 9.86 10.19 0.00000 4 -8 -1 1.91 1.97 180.00000 2 4 4 0.96 0.98 0.00000 9 -3 -1 21.73 22.17 0.00000 5 -5 -4 3.50 3.56 180.00000 6 6 1 1.50 1.53 180.00000 9 -3 -2 1.80 1.84 0.00000 4 8 0 0.54 0.56 180.00000 6 -6 -3 2.59 2.69 0.00000 8 -4 -3 5.32 5.52 180.00000 3 3 4 0.16 0.16 0.00000 1 5 4 11.03 10.89 180.00000 5 7 1 12.58 12.37 180.00000 7 5 1 0.05 0.05 180.00000 3 -3 -5 0.39 0.38 180.00000 7 3 2 0.21 0.20 180.00000 1 7 3 14.70 14.17 0.00000 4 0 4 7.83 7.51 0.00000 8 -2 -4 0.64 0.62 180.00000 1 9 0 0.71 0.70 0.00000 2 -6 -4 2.82 2.80 0.00000 0 2 5 0.79 0.82 0.00000 4 -8 -2 0.54 0.55 180.00000 1 -3 -5 27.98 27.54 0.00000 6 2 3 12.95 12.62 180.00000 1 -9 -1 0.01 0.01 0.00000 2 8 2 1.37 1.36 180.00000 9 3 0 0.34 0.34 0.00000 4 -6 -4 15.55 15.15 180.00000 4 2 4 1.27 1.21 0.00000 5 -7 -3 20.50 19.30 0.00000 10 0 -2 9.28 8.73 180.00000 9 -3 -3 36.37 34.16 180.00000 1 1 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