#------------------------------------------------------------------------------ #$Date: 2016-04-06 13:31:37 +0300 (Wed, 06 Apr 2016) $ #$Revision: 181859 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/7/22/46/7224691.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_7224691 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 9.42716(15) _cell_length_b 9.42716(15) _cell_length_c 6.92158(12) _cod_data_source_file Ca9La0p9Dy0p1PO45SiO4F2.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+y, -x, -z+1/2' '-x+y, -x, z' '-y, x-y, -z+1/2' '-y, x-y, z' 'y, -x+y, -z' 'y, -x+y, z+1/2' 'x-y, x, -z' 'x-y, x, z+1/2' 'x, y, -z+1/2' 'x, y, z' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc 0 1 0 0.26 0.26 180.00000 0 1 1 0.94 0.96 180.00000 1 1 0 1.10 1.03 180.00000 0 2 0 8.10 8.03 180.00000 1 1 1 0.67 0.66 0.00000 0 2 1 0.72 0.68 180.00000 0 0 2 43.14 43.15 180.00000 0 1 2 19.78 21.15 180.00000 1 2 0 4.02 3.78 180.00000 2 1 0 26.93 25.27 180.00000 1 2 1 59.63 60.11 180.00000 2 1 1 129.40 130.44 180.00000 1 1 2 76.46 75.41 0.00000 0 3 0 95.71 96.03 0.00000 0 2 2 30.49 31.51 180.00000 0 3 1 5.30 5.10 180.00000 2 2 0 0.35 0.38 0.00000 1 2 2 2.23 2.01 0.00000 2 1 2 5.63 5.08 180.00000 1 3 0 50.56 49.89 0.00000 3 1 0 9.96 9.82 180.00000 2 2 1 7.44 7.63 180.00000 0 1 3 0.73 0.73 180.00000 1 3 1 9.25 8.61 0.00000 3 1 1 4.98 4.64 180.00000 0 3 2 1.88 1.82 0.00000 1 1 3 25.36 24.26 0.00000 0 4 0 12.37 12.24 0.00000 0 2 3 14.22 13.69 180.00000 0 4 1 0.61 0.55 180.00000 2 2 2 110.10 106.13 0.00000 1 3 2 41.32 41.60 180.00000 3 1 2 20.52 20.66 180.00000 2 3 0 13.23 12.39 180.00000 3 2 0 1.38 1.29 180.00000 1 2 3 53.55 53.32 0.00000 2 1 3 124.91 124.36 0.00000 2 3 1 39.55 39.29 0.00000 3 2 1 49.42 49.09 0.00000 1 4 0 46.83 44.86 0.00000 4 1 0 24.83 23.78 0.00000 0 3 3 2.75 2.77 0.00000 0 4 2 83.05 84.98 180.00000 0 0 4 83.69 81.44 0.00000 1 4 1 1.10 1.09 0.00000 4 1 1 4.07 4.05 0.00000 0 1 4 0.62 0.60 180.00000 2 2 3 0.40 0.43 0.00000 3 2 2 25.78 27.25 180.00000 2 3 2 0.93 0.98 180.00000 0 5 0 2.74 2.69 0.00000 1 1 4 1.55 1.59 0.00000 1 3 3 7.02 6.93 180.00000 3 1 3 8.93 8.81 180.00000 0 2 4 1.56 1.48 180.00000 0 5 1 6.66 6.14 180.00000 1 4 2 1.91 1.78 180.00000 4 1 2 2.16 2.02 0.00000 3 3 0 2.59 2.59 0.00000 4 2 0 3.11 3.15 180.00000 2 4 0 30.76 31.12 180.00000 3 3 1 36.72 37.91 0.00000 0 4 3 0.55 0.57 0.00000 2 1 4 13.69 12.84 180.00000 1 2 4 18.74 17.59 180.00000 4 2 1 0.64 0.61 180.00000 2 4 1 15.44 14.80 180.00000 0 5 2 79.05 80.79 180.00000 1 5 0 0.30 0.29 180.00000 5 1 0 11.43 11.11 180.00000 0 3 4 61.86 62.55 0.00000 3 2 3 53.90 58.10 180.00000 2 3 3 7.93 8.55 180.00000 1 5 1 9.73 10.06 180.00000 5 1 1 51.15 52.90 180.00000 3 3 2 15.95 16.62 0.00000 1 4 3 5.26 5.12 180.00000 4 1 3 8.44 8.22 180.00000 2 4 2 3.02 2.92 0.00000 4 2 2 6.06 5.86 0.00000 2 2 4 0.02 0.02 180.00000 1 3 4 4.67 4.64 0.00000 3 1 4 1.21 1.21 180.00000 0 1 5 0.34 0.34 180.00000 0 6 0 1.72 1.67 0.00000 1 5 2 11.71 11.81 180.00000 5 1 2 8.69 8.76 0.00000 4 3 0 1.30 1.30 180.00000 3 4 0 0.01 0.01 180.00000 0 6 1 1.40 1.41 0.00000 0 5 3 2.86 2.95 180.00000 1 1 5 0.57 0.58 0.00000 0 4 4 13.54 13.32 0.00000 4 3 1 39.10 38.13 0.00000 3 4 1 1.75 1.71 180.00000 0 2 5 0.94 0.94 180.00000 2 5 0 2.90 2.99 0.00000 5 2 0 24.21 24.96 0.00000 3 3 3 7.66 7.33 180.00000 2 5 1 15.94 16.15 180.00000 5 2 1 17.95 18.19 180.00000 4 2 3 0.49 0.49 0.00000 2 4 3 33.43 33.82 0.00000 3 2 4 0.41 0.39 0.00000 2 3 4 8.95 8.46 180.00000 0 6 2 14.94 14.25 0.00000 2 1 5 47.80 46.03 180.00000 1 2 5 22.36 21.53 180.00000 4 3 2 1.96 1.96 180.00000 3 4 2 20.21 20.25 180.00000 1 6 0 9.37 9.14 180.00000 6 1 0 14.76 14.40 180.00000 1 4 4 56.87 57.79 0.00000 4 1 4 27.14 27.58 0.00000 1 5 3 1.89 1.93 0.00000 5 1 3 45.54 46.33 0.00000 0 3 5 0.89 0.90 180.00000 1 6 1 8.12 8.02 180.00000 6 1 1 11.71 11.56 180.00000 2 5 2 61.74 61.70 0.00000 5 2 2 10.41 10.40 0.00000 2 2 5 5.31 5.10 180.00000 0 5 4 13.71 13.67 0.00000 1 3 5 4.00 3.97 0.00000 3 1 5 1.65 1.64 180.00000 4 4 0 31.18 31.01 0.00000 0 6 3 0.62 0.61 180.00000 1 6 2 8.44 8.40 0.00000 6 1 2 1.34 1.33 0.00000 5 3 0 4.93 4.89 0.00000 3 5 0 4.92 4.88 0.00000 0 7 0 0.68 0.68 180.00000 3 3 4 6.76 6.63 0.00000 4 4 1 9.83 9.65 180.00000 4 3 3 41.58 40.31 180.00000 3 4 3 0.99 0.96 0.00000 0 0 6 23.03 23.01 180.00000 4 2 4 19.46 19.38 180.00000 2 4 4 25.17 25.07 180.00000 3 5 1 0.60 0.60 180.00000 5 3 1 1.53 1.52 180.00000 0 7 1 0.61 0.61 0.00000 0 4 5 0.69 0.68 180.00000 0 1 6 9.24 9.11 180.00000 5 2 3 16.20 15.78 0.00000 2 5 3 14.32 13.95 0.00000 2 6 0 2.46 2.39 180.00000 6 2 0 0.48 0.46 180.00000 1 1 6 48.03 44.53 0.00000 1 5 4 0.27 0.25 180.00000 5 1 4 27.53 26.11 180.00000 2 6 1 2.95 2.83 180.00000 6 2 1 0.01 0.01 180.00000 4 4 2 10.89 10.81 180.00000 2 3 5 21.93 22.00 0.00000 3 2 5 18.03 18.09 0.00000 0 2 6 1.52 1.50 180.00000 5 3 2 46.44 47.76 180.00000 3 5 2 31.69 32.58 180.00000 0 7 2 12.10 12.44 180.00000 1 6 3 6.96 7.22 0.00000 6 1 3 2.57 2.66 0.00000 4 1 5 1.33 1.37 0.00000 1 4 5 0.40 0.41 0.00000 1 7 0 30.35 31.67 0.00000 7 1 0 0.78 0.81 0.00000 2 1 6 0.78 0.82 0.00000 1 2 6 1.46 1.52 180.00000 2 6 2 1.73 1.83 0.00000 6 2 2 10.64 11.26 180.00000 0 6 4 4.62 4.72 0.00000 1 7 1 0.01 0.01 0.00000 7 1 1 1.40 1.41 180.00000 0 3 6 1.38 1.40 180.00000 4 3 4 2.64 2.66 180.00000 3 4 4 0.34 0.34 0.00000 0 5 5 3.58 3.57 180.00000 4 4 3 0.02 0.02 0.00000 5 4 0 1.15 1.15 0.00000 4 5 0 0.27 0.27 180.00000 5 2 4 12.14 12.01 0.00000 2 5 4 0.15 0.15 180.00000 3 5 3 0.02 0.02 180.00000 5 3 3 2.00 1.94 0.00000 0 7 3 2.96 2.87 0.00000 3 3 5 22.85 21.79 0.00000 2 2 6 30.72 28.91 0.00000 5 4 1 7.77 7.44 180.00000 4 5 1 10.04 9.62 0.00000 1 7 2 7.35 7.15 180.00000 7 1 2 16.21 15.75 0.00000 2 4 5 6.95 6.87 180.00000 4 2 5 0.15 0.14 180.00000 3 6 0 0.89 0.90 180.00000 6 3 0 0.10 0.10 0.00000 1 3 6 36.63 37.33 180.00000 3 1 6 0.62 0.63 180.00000 0 8 0 15.79 15.58 0.00000 6 3 1 24.23 23.60 0.00000 3 6 1 11.02 10.73 0.00000 6 2 3 2.78 2.69 0.00000 2 6 3 2.73 2.64 0.00000 1 6 4 23.20 22.65 180.00000 6 1 4 15.46 15.09 180.00000 0 8 1 0.31 0.30 0.00000 5 1 5 28.78 28.12 180.00000 1 5 5 6.63 6.48 180.00000 0 4 6 29.83 29.32 180.00000 4 5 2 6.62 6.71 180.00000 5 4 2 12.11 12.26 180.00000 2 7 0 3.02 3.06 180.00000 7 2 0 7.41 7.51 180.00000 2 7 1 0.37 0.38 0.00000 7 2 1 13.70 13.95 0.00000 3 6 2 28.13 28.55 0.00000 6 3 2 14.56 14.78 0.00000 3 2 6 4.37 4.40 180.00000 2 3 6 0.00 0.00 180.00000 0 1 7 0.08 0.09 0.00000 1 7 3 0.97 0.98 180.00000 7 1 3 0.15 0.15 0.00000 0 8 2 61.01 61.98 180.00000 4 4 4 56.13 58.00 0.00000 0 6 5 0.51 0.52 0.00000 1 4 6 0.06 0.06 180.00000 4 1 6 2.56 2.61 0.00000 1 1 7 0.78 0.80 0.00000 3 5 4 5.70 5.85 0.00000 5 3 4 9.50 9.74 0.00000 0 7 4 0.01 0.01 0.00000 4 3 5 17.12 17.09 0.00000 3 4 5 0.76 0.76 180.00000 0 2 7 0.17 0.17 180.00000 2 7 2 1.27 1.28 180.00000 7 2 2 1.10 1.11 0.00000 1 8 0 1.26 1.26 0.00000 8 1 0 0.58 0.58 0.00000 5 4 3 4.18 4.17 0.00000 4 5 3 7.15 7.13 180.00000 2 5 5 9.21 9.03 180.00000 5 2 5 9.57 9.38 180.00000 2 6 4 11.21 10.72 180.00000 6 2 4 0.16 0.15 0.00000 1 8 1 0.66 0.63 180.00000 8 1 1 0.16 0.16 180.00000 5 5 0 7.80 7.54 0.00000 0 5 6 21.08 20.28 180.00000 1 2 7 15.53 14.86 0.00000 2 1 7 29.09 27.83 0.00000 6 3 3 8.26 7.88 180.00000 3 6 3 1.83 1.75 180.00000 4 6 0 5.56 5.42 180.00000 6 4 0 0.10 0.10 0.00000 5 5 1 5.69 5.53 180.00000 0 8 3 0.54 0.52 180.00000 3 3 6 13.63 13.09 0.00000 0 3 7 0.35 0.34 0.00000 4 6 1 16.24 15.78 0.00000 6 4 1 0.31 0.30 180.00000 1 6 5 3.51 3.46 180.00000 6 1 5 7.37 7.26 180.00000 2 4 6 4.76 4.69 0.00000 4 2 6 0.15 0.14 180.00000 1 8 2 26.30 26.31 180.00000 8 1 2 0.67 0.67 180.00000 3 7 0 2.09 2.15 180.00000 7 3 0 8.12 8.35 180.00000 1 7 4 46.67 48.58 0.00000 7 1 4 1.51 1.57 0.00000 2 7 3 1.50 1.52 180.00000 7 2 3 6.15 6.23 180.00000 2 2 7 1.79 1.81 0.00000 3 7 1 7.91 8.10 0.00000 7 3 1 10.48 10.73 0.00000 5 5 2 9.56 9.77 0.00000 0 9 0 7.42 7.55 0.00000 1 5 6 3.48 3.53 180.00000 5 1 6 0.78 0.79 0.00000 1 3 7 2.96 2.98 180.00000 3 1 7 0.02 0.02 180.00000 4 6 2 0.05 0.05 0.00000 6 4 2 0.67 0.68 180.00000 0 9 1 3.59 3.60 180.00000 4 4 5 6.57 6.48 180.00000 4 5 4 0.05 0.05 180.00000 5 4 4 0.73 0.73 0.00000 3 5 5 0.58 0.59 180.00000 5 3 5 0.66 0.68 180.00000 0 7 5 0.75 0.77 0.00000 2 8 0 0.98 1.00 0.00000 8 2 0 4.63 4.73 0.00000 0 4 7 0.75 0.76 0.00000 3 7 2 0.32 0.32 180.00000 7 3 2 0.57 0.57 0.00000 3 6 4 0.15 0.15 180.00000 6 3 4 0.96 0.94 0.00000 2 8 1 3.08 3.00 0.00000 8 2 1 7.25 7.07 0.00000 1 8 3 0.93 0.91 180.00000 8 1 3 0.09 0.09 0.00000 0 6 6 12.59 12.48 0.00000 0 8 4 21.70 21.55 0.00000 0 9 2 2.05 2.03 0.00000 2 6 5 1.41 1.41 180.00000 6 2 5 0.03 0.03 0.00000 4 3 6 1.56 1.58 180.00000 3 4 6 4.55 4.60 180.00000 3 2 7 14.23 14.39 180.00000 2 3 7 7.76 7.85 180.00000 5 5 3 4.81 4.86 0.00000 4 6 3 7.33 7.09 180.00000 6 4 3 0.29 0.28 0.00000 0 0 8 16.12 15.77 0.00000 2 5 6 12.50 12.24 0.00000 5 2 6 0.52 0.51 0.00000 1 4 7 0.73 0.72 180.00000 4 1 7 1.41 1.38 180.00000 2 7 4 2.27 2.21 180.00000 7 2 4 10.60 10.36 180.00000 2 8 2 13.72 13.60 0.00000 8 2 2 3.63 3.60 0.00000 0 1 8 0.14 0.14 180.00000 6 5 0 0.90 0.90 180.00000 5 6 0 5.39 5.39 180.00000 1 9 0 2.06 2.06 180.00000 9 1 0 1.35 1.35 180.00000 3 7 3 2.93 2.95 180.00000 7 3 3 15.47 15.57 180.00000 1 7 5 0.04 0.04 180.00000 7 1 5 1.29 1.30 180.00000 1 1 8 0.30 0.31 0.00000 6 5 1 13.71 13.95 180.00000 5 6 1 10.31 10.49 180.00000 1 9 1 0.24 0.24 180.00000 9 1 1 4.30 4.38 180.00000