#------------------------------------------------------------------------------ #$Date: 2016-04-06 13:31:37 +0300 (Wed, 06 Apr 2016) $ #$Revision: 181859 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/7/22/46/7224690.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_7224690 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 9.43197(15) _cell_length_b 9.43197(15) _cell_length_c 6.92605(12) _cod_data_source_file Ca9LaPO45SiO4F2.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 0.28 0.28 180.00000 0 1 1 0.89 0.87 180.00000 1 1 0 1.00 0.94 180.00000 0 2 0 6.60 6.46 180.00000 1 1 1 0.55 0.58 0.00000 0 2 1 0.21 0.21 180.00000 0 0 2 36.20 37.21 180.00000 0 1 2 19.29 19.41 180.00000 1 2 0 3.60 3.48 180.00000 2 1 0 23.46 22.70 180.00000 1 2 1 55.97 55.67 180.00000 2 1 1 119.45 118.81 180.00000 1 1 2 65.17 65.48 0.00000 0 3 0 90.11 88.79 0.00000 0 2 2 26.68 27.00 180.00000 0 3 1 3.77 3.73 180.00000 2 2 0 0.07 0.08 0.00000 1 2 2 2.42 2.27 0.00000 2 1 2 4.69 4.38 180.00000 1 3 0 42.58 41.96 0.00000 3 1 0 8.70 8.58 180.00000 2 2 1 7.42 7.60 180.00000 0 1 3 0.66 0.64 180.00000 1 3 1 8.67 7.84 0.00000 3 1 1 3.26 2.95 180.00000 0 3 2 2.34 2.24 0.00000 1 1 3 22.22 21.73 0.00000 0 4 0 10.93 10.52 0.00000 0 2 3 11.33 10.78 180.00000 0 4 1 0.59 0.57 180.00000 2 2 2 90.80 90.01 0.00000 1 3 2 36.89 37.17 180.00000 3 1 2 17.74 17.87 180.00000 2 3 0 11.75 11.44 180.00000 3 2 0 1.03 1.00 180.00000 1 2 3 48.47 47.88 0.00000 2 1 3 109.33 108.01 0.00000 2 3 1 35.52 35.11 0.00000 3 2 1 43.82 43.32 0.00000 1 4 0 39.54 39.35 0.00000 4 1 0 21.37 21.26 0.00000 0 3 3 2.15 2.22 0.00000 0 4 2 70.21 73.68 180.00000 0 0 4 70.69 74.01 0.00000 1 4 1 0.86 0.92 0.00000 4 1 1 3.99 4.29 0.00000 0 1 4 0.44 0.44 180.00000 2 2 3 0.36 0.38 0.00000 3 2 2 22.30 22.96 180.00000 2 3 2 1.54 1.58 180.00000 0 5 0 2.87 2.88 0.00000 1 1 4 1.03 1.04 0.00000 1 3 3 5.84 5.86 180.00000 3 1 3 8.71 8.75 180.00000 0 2 4 1.55 1.51 180.00000 0 5 1 5.10 4.83 180.00000 1 4 2 2.18 2.09 180.00000 4 1 2 2.09 2.01 0.00000 3 3 0 2.49 2.52 0.00000 4 2 0 2.47 2.46 180.00000 2 4 0 27.27 27.17 180.00000 3 3 1 32.79 32.08 0.00000 0 4 3 0.11 0.11 0.00000 2 1 4 12.97 12.41 180.00000 1 2 4 15.62 14.95 180.00000 4 2 1 0.42 0.41 180.00000 2 4 1 13.52 13.08 180.00000 0 5 2 77.14 76.37 180.00000 1 5 0 0.14 0.14 180.00000 5 1 0 11.55 11.51 180.00000 0 3 4 56.71 56.35 0.00000 3 2 3 48.58 50.09 180.00000 2 3 3 7.40 7.63 180.00000 1 5 1 8.02 8.02 180.00000 5 1 1 46.57 46.55 180.00000 3 3 2 16.52 16.77 0.00000 1 4 3 3.41 3.22 180.00000 4 1 3 5.99 5.65 180.00000 2 4 2 2.84 2.69 0.00000 4 2 2 7.10 6.71 0.00000 2 2 4 0.01 0.01 180.00000 1 3 4 4.83 4.88 0.00000 3 1 4 1.43 1.45 180.00000 0 1 5 0.44 0.44 180.00000 0 6 0 1.46 1.43 0.00000 1 5 2 8.97 8.62 180.00000 5 1 2 7.61 7.32 0.00000 4 3 0 1.09 1.06 180.00000 3 4 0 0.01 0.01 180.00000 0 6 1 1.40 1.41 0.00000 0 5 3 2.61 2.67 180.00000 1 1 5 0.69 0.70 0.00000 0 4 4 11.32 11.40 0.00000 4 3 1 34.65 34.86 0.00000 3 4 1 1.95 1.96 180.00000 0 2 5 0.57 0.59 180.00000 2 5 0 2.14 2.27 0.00000 5 2 0 20.28 21.45 0.00000 3 3 3 8.08 8.03 180.00000 2 5 1 14.82 14.91 180.00000 5 2 1 15.40 15.50 180.00000 4 2 3 0.26 0.27 0.00000 2 4 3 31.13 31.36 0.00000 3 2 4 0.35 0.33 0.00000 2 3 4 7.13 6.75 180.00000 0 6 2 13.56 13.25 0.00000 2 1 5 42.45 41.63 180.00000 1 2 5 20.86 20.46 180.00000 4 3 2 1.37 1.37 180.00000 3 4 2 18.44 18.42 180.00000 1 6 0 7.42 7.19 180.00000 6 1 0 15.62 15.13 180.00000 1 4 4 51.73 51.56 0.00000 4 1 4 23.21 23.14 0.00000 1 5 3 2.09 2.15 0.00000 5 1 3 39.93 41.05 0.00000 0 3 5 0.57 0.60 180.00000 1 6 1 6.08 6.02 180.00000 6 1 1 11.01 10.90 180.00000 2 5 2 55.48 55.27 0.00000 5 2 2 7.15 7.12 0.00000 2 2 5 5.40 5.50 180.00000 0 5 4 13.00 13.29 0.00000 1 3 5 4.08 4.18 0.00000 3 1 5 1.30 1.33 180.00000 4 4 0 27.67 27.75 0.00000 0 6 3 0.35 0.36 180.00000 1 6 2 8.31 8.48 0.00000 6 1 2 1.27 1.29 0.00000 5 3 0 4.29 4.25 0.00000 3 5 0 3.36 3.33 0.00000 0 7 0 0.43 0.43 180.00000 3 3 4 4.96 4.87 0.00000 4 4 1 8.28 8.12 180.00000 4 3 3 37.50 36.68 180.00000 3 4 3 0.37 0.36 0.00000 0 0 6 20.30 20.03 180.00000 4 2 4 17.26 17.15 180.00000 2 4 4 23.23 23.08 180.00000 3 5 1 0.65 0.64 180.00000 5 3 1 1.37 1.36 180.00000 0 7 1 0.35 0.35 0.00000 0 4 5 0.98 0.98 180.00000 0 1 6 7.82 7.75 180.00000 5 2 3 14.09 13.81 0.00000 2 5 3 12.67 12.42 0.00000 2 6 0 2.62 2.64 180.00000 6 2 0 0.33 0.33 180.00000 1 1 6 41.48 39.37 0.00000 1 5 4 0.30 0.28 180.00000 5 1 4 23.68 22.68 180.00000 2 6 1 3.45 3.33 180.00000 6 2 1 0.01 0.01 180.00000 4 4 2 9.64 9.48 180.00000 2 3 5 20.12 19.95 0.00000 3 2 5 16.26 16.12 0.00000 0 2 6 1.68 1.63 180.00000 5 3 2 42.84 42.88 180.00000 3 5 2 30.27 30.30 180.00000 0 7 2 10.86 10.87 180.00000 1 6 3 4.89 5.12 0.00000 6 1 3 1.84 1.93 0.00000 4 1 5 1.52 1.58 0.00000 1 4 5 0.40 0.42 0.00000 1 7 0 26.64 27.50 0.00000 7 1 0 0.70 0.72 0.00000 2 1 6 0.79 0.81 0.00000 1 2 6 1.15 1.18 180.00000 2 6 2 1.23 1.26 0.00000 6 2 2 10.62 10.88 180.00000 0 6 4 3.53 3.54 0.00000 1 7 1 0.01 0.01 0.00000 7 1 1 1.75 1.79 180.00000 0 3 6 1.57 1.58 180.00000 4 3 4 2.60 2.56 180.00000 3 4 4 0.29 0.28 0.00000 0 5 5 3.07 3.00 180.00000 4 4 3 0.08 0.08 0.00000 5 4 0 1.34 1.34 0.00000 4 5 0 0.16 0.16 180.00000 5 2 4 12.51 12.71 0.00000 2 5 4 0.11 0.11 180.00000 3 5 3 0.03 0.03 0.00000 5 3 3 2.90 2.89 0.00000 0 7 3 1.75 1.74 0.00000 3 3 5 19.41 18.99 0.00000 2 2 6 27.97 27.00 0.00000 5 4 1 6.69 6.60 180.00000 4 5 1 9.15 9.01 0.00000 1 7 2 6.56 6.53 180.00000 7 1 2 16.11 16.04 0.00000 2 4 5 6.02 5.91 180.00000 4 2 5 0.14 0.14 180.00000 3 6 0 1.05 1.04 180.00000 6 3 0 0.09 0.09 0.00000 1 3 6 30.29 29.85 180.00000 3 1 6 0.53 0.53 180.00000 0 8 0 14.16 14.12 0.00000 6 3 1 21.97 21.93 0.00000 3 6 1 10.13 10.12 0.00000 6 2 3 2.20 2.18 0.00000 2 6 3 3.39 3.36 0.00000 1 6 4 20.63 19.89 180.00000 6 1 4 15.03 14.49 180.00000 0 8 1 0.09 0.09 0.00000 5 1 5 24.94 24.75 180.00000 1 5 5 5.47 5.43 180.00000 0 4 6 24.87 25.15 180.00000 4 5 2 4.62 4.63 180.00000 5 4 2 10.40 10.43 180.00000 2 7 0 2.64 2.65 180.00000 7 2 0 6.01 6.03 180.00000 2 7 1 0.27 0.27 0.00000 7 2 1 11.29 11.25 0.00000 3 6 2 24.89 24.90 0.00000 6 3 2 12.50 12.50 0.00000 3 2 6 4.65 4.57 180.00000 2 3 6 0.01 0.01 180.00000 0 1 7 0.03 0.03 0.00000 1 7 3 1.21 1.22 180.00000 7 1 3 0.32 0.33 0.00000 0 8 2 56.74 57.09 180.00000 4 4 4 48.21 49.64 0.00000 0 6 5 0.52 0.52 0.00000 1 4 6 0.08 0.08 180.00000 4 1 6 2.36 2.38 0.00000 1 1 7 0.74 0.75 0.00000 3 5 4 5.44 5.51 0.00000 5 3 4 8.54 8.66 0.00000 0 7 4 0.00 0.00 0.00000 4 3 5 16.02 16.28 0.00000 3 4 5 1.09 1.11 180.00000 0 2 7 0.19 0.19 180.00000 2 7 2 1.03 1.03 180.00000 7 2 2 1.69 1.70 0.00000 1 8 0 1.23 1.24 0.00000 8 1 0 0.38 0.38 0.00000 5 4 3 5.04 5.14 0.00000 4 5 3 6.98 7.12 180.00000 2 5 5 8.33 8.25 180.00000 5 2 5 8.04 7.96 180.00000 2 6 4 9.16 8.78 180.00000 6 2 4 0.18 0.17 0.00000 1 8 1 0.26 0.25 180.00000 8 1 1 0.07 0.07 180.00000 5 5 0 7.92 7.76 0.00000 0 5 6 20.57 20.25 180.00000 1 2 7 13.57 13.37 0.00000 2 1 7 27.46 27.05 0.00000 6 3 3 8.40 8.29 180.00000 3 6 3 1.63 1.61 180.00000 4 6 0 4.82 4.76 180.00000 6 4 0 0.08 0.07 180.00000 5 5 1 4.82 4.70 180.00000 0 8 3 0.60 0.59 180.00000 3 3 6 11.23 11.05 0.00000 0 3 7 0.25 0.25 0.00000 4 6 1 14.05 14.11 0.00000 6 4 1 0.32 0.32 180.00000 1 6 5 2.23 2.21 180.00000 6 1 5 7.25 7.20 180.00000 2 4 6 4.36 4.28 0.00000 4 2 6 0.08 0.08 180.00000 1 8 2 23.51 23.21 180.00000 8 1 2 0.36 0.35 180.00000 3 7 0 1.45 1.46 180.00000 7 3 0 7.50 7.53 180.00000 1 7 4 42.17 42.77 0.00000 7 1 4 0.89 0.90 0.00000 2 7 3 0.50 0.50 180.00000 7 2 3 6.47 6.45 180.00000 2 2 7 1.76 1.78 0.00000 3 7 1 7.43 7.56 0.00000 7 3 1 8.83 8.99 0.00000 5 5 2 7.76 7.84 0.00000 0 9 0 5.27 5.36 0.00000 1 5 6 3.47 3.54 180.00000 5 1 6 1.17 1.19 0.00000 1 3 7 2.74 2.78 180.00000 3 1 7 0.24 0.25 180.00000 4 6 2 0.12 0.12 0.00000 6 4 2 0.94 0.95 180.00000 0 9 1 3.35 3.37 180.00000 4 4 5 5.76 5.81 180.00000 4 5 4 0.13 0.13 180.00000 5 4 4 0.69 0.70 0.00000 3 5 5 0.57 0.58 180.00000 5 3 5 0.55 0.56 180.00000 0 7 5 0.41 0.42 0.00000 2 8 0 1.20 1.24 0.00000 8 2 0 4.79 4.95 0.00000 0 4 7 0.58 0.59 0.00000 3 7 2 0.48 0.49 180.00000 7 3 2 0.51 0.52 0.00000 3 6 4 0.23 0.23 180.00000 6 3 4 0.74 0.74 0.00000 2 8 1 2.94 2.93 0.00000 8 2 1 7.03 7.01 0.00000 1 8 3 1.03 1.02 180.00000 8 1 3 0.05 0.05 0.00000 0 6 6 11.14 10.92 0.00000 0 8 4 20.60 20.31 0.00000 0 9 2 1.52 1.49 0.00000 2 6 5 1.74 1.73 180.00000 6 2 5 0.04 0.04 0.00000 4 3 6 1.24 1.25 180.00000 3 4 6 3.89 3.91 180.00000 3 2 7 12.42 12.48 180.00000 2 3 7 7.01 7.05 180.00000 5 5 3 3.90 3.89 0.00000 4 6 3 8.62 8.29 180.00000 6 4 3 0.17 0.16 0.00000 0 0 8 14.82 14.21 0.00000 2 5 6 12.12 11.68 0.00000 5 2 6 0.46 0.44 0.00000 1 4 7 0.70 0.68 180.00000 4 1 7 1.35 1.31 180.00000 2 7 4 2.21 2.15 180.00000 7 2 4 10.39 10.11 180.00000 2 8 2 13.16 12.99 0.00000 8 2 2 2.58 2.55 0.00000 0 1 8 0.12 0.12 180.00000 6 5 0 1.00 1.00 180.00000 5 6 0 4.97 5.01 180.00000 1 9 0 1.37 1.38 180.00000 9 1 0 1.56 1.57 180.00000 3 7 3 3.23 3.26 180.00000 7 3 3 14.17 14.31 180.00000 1 7 5 0.09 0.09 180.00000 7 1 5 1.75 1.75 180.00000 1 1 8 0.17 0.17 0.00000 6 5 1 11.51 11.82 180.00000 5 6 1 9.23 9.48 180.00000 1 9 1 0.14 0.14 180.00000 9 1 1 3.52 3.62 180.00000