#------------------------------------------------------------------------------ #$Date: 2016-04-06 13:31:37 +0300 (Wed, 06 Apr 2016) $ #$Revision: 181859 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/7/03/88/7038854.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_7038854 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 9.46060(18) _cell_length_b 9.46060(18) _cell_length_c 6.93560(13) _cod_data_source_file Ca8PO46O2_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+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 2.71 2.63 0.00000 0 1 1 4.72 4.83 180.00000 1 1 0 3.65 3.52 180.00000 0 2 0 29.43 30.76 180.00000 1 1 1 4.62 4.44 180.00000 0 2 1 1.82 1.80 180.00000 0 0 2 259.70 258.72 180.00000 0 1 2 165.57 167.77 180.00000 2 1 0 170.04 176.31 180.00000 1 2 0 31.18 32.33 180.00000 2 1 1 918.69 929.79 180.00000 1 2 1 398.95 403.77 180.00000 1 1 2 254.38 269.58 0.00000 0 3 0 256.75 261.74 0.00000 0 2 2 101.56 104.45 180.00000 0 3 1 5.84 6.06 180.00000 2 2 0 2.75 2.65 180.00000 2 1 2 2.59 2.31 180.00000 1 2 2 69.78 62.06 0.00000 3 1 0 79.34 74.12 180.00000 1 3 0 189.15 176.73 0.00000 2 2 1 180.38 183.72 180.00000 0 1 3 3.48 3.51 180.00000 3 1 1 90.78 85.92 180.00000 1 3 1 11.70 11.07 0.00000 0 3 2 71.84 68.22 0.00000 1 1 3 156.35 148.49 0.00000 0 4 0 63.99 61.17 0.00000 0 2 3 65.80 62.99 180.00000 0 4 1 10.51 10.22 180.00000 2 2 2 536.88 521.39 0.00000 3 1 2 47.90 46.04 180.00000 1 3 2 179.35 172.39 180.00000 3 2 0 2.27 1.98 180.00000 2 3 0 69.31 60.48 180.00000 2 1 3 759.22 740.84 0.00000 1 2 3 357.21 348.56 0.00000 3 2 1 190.90 181.54 0.00000 2 3 1 148.32 141.05 0.00000 4 1 0 190.37 191.45 0.00000 1 4 0 323.33 325.16 0.00000 0 3 3 6.91 6.91 0.00000 0 4 2 457.56 459.47 180.00000 0 0 4 443.91 429.47 0.00000 4 1 1 33.14 32.95 0.00000 1 4 1 8.86 8.80 0.00000 0 1 4 3.40 3.30 0.00000 2 2 3 52.88 58.64 0.00000 3 2 2 104.64 114.91 180.00000 2 3 2 11.10 12.19 180.00000 0 5 0 105.80 103.92 0.00000 1 1 4 8.53 8.27 0.00000 3 1 3 7.87 7.54 180.00000 1 3 3 9.93 9.51 180.00000 0 2 4 10.52 10.62 180.00000 0 5 1 26.34 24.77 180.00000 4 1 2 0.26 0.26 180.00000 1 4 2 115.16 111.35 180.00000 3 3 0 0.86 0.87 180.00000 4 2 0 27.72 25.79 180.00000 2 4 0 93.32 86.84 180.00000 3 3 1 379.26 375.60 0.00000 0 4 3 1.05 1.05 0.00000 2 1 4 121.03 119.84 180.00000 1 2 4 149.09 147.64 180.00000 4 2 1 40.50 41.80 0.00000 2 4 1 15.46 15.96 180.00000 0 5 2 770.78 773.82 180.00000 1 5 0 23.33 23.87 0.00000 5 1 0 26.40 27.01 180.00000 0 3 4 142.33 144.97 0.00000 3 2 3 200.25 200.04 180.00000 2 3 3 12.72 12.71 180.00000 1 5 1 11.17 11.01 180.00000 5 1 1 138.74 136.74 180.00000 3 3 2 211.98 207.48 0.00000 4 1 3 31.84 32.15 180.00000 1 4 3 29.41 29.70 180.00000 4 2 2 87.30 87.97 0.00000 2 4 2 4.58 4.61 0.00000 2 2 4 5.13 5.34 180.00000 3 1 4 17.21 18.05 180.00000 1 3 4 17.22 18.06 0.00000 0 1 5 1.59 1.68 180.00000 0 6 0 14.48 15.79 0.00000 5 1 2 13.49 12.63 0.00000 1 5 2 153.35 143.56 180.00000 4 3 0 60.35 60.74 180.00000 3 4 0 7.84 7.89 180.00000 0 6 1 7.69 8.19 0.00000 0 5 3 15.47 16.14 180.00000 1 1 5 3.78 3.65 180.00000 0 4 4 99.65 98.53 0.00000 4 3 1 351.55 333.21 0.00000 3 4 1 0.24 0.23 0.00000 0 2 5 3.06 3.01 180.00000 5 2 0 79.03 79.14 0.00000 2 5 0 7.39 7.40 0.00000 3 3 3 166.15 160.95 180.00000 5 2 1 41.97 39.06 180.00000 2 5 1 81.26 75.63 180.00000 4 2 3 35.12 32.81 180.00000 2 4 3 73.78 68.92 0.00000 3 2 4 2.58 2.52 0.00000 2 3 4 29.35 28.65 180.00000 0 6 2 37.18 36.93 0.00000 2 1 5 403.32 397.39 180.00000 1 2 5 175.25 172.67 180.00000 4 3 2 12.43 11.44 0.00000 3 4 2 41.68 38.35 180.00000 6 1 0 121.12 111.76 180.00000 1 6 0 78.97 72.87 180.00000 4 1 4 211.07 202.41 0.00000 1 4 4 526.86 505.24 0.00000 5 1 3 112.17 105.52 0.00000 1 5 3 2.03 1.91 0.00000 0 3 5 0.58 0.54 180.00000 6 1 1 150.43 151.77 180.00000 1 6 1 75.13 75.79 180.00000 5 2 2 40.34 40.97 0.00000 2 5 2 362.94 368.63 0.00000 2 2 5 114.78 105.52 180.00000 0 5 4 259.33 251.60 0.00000 3 1 5 37.71 37.80 180.00000 1 3 5 5.53 5.54 0.00000 4 4 0 121.46 120.48 0.00000 0 6 3 0.92 0.86 0.00000 6 1 2 20.11 19.19 0.00000 1 6 2 90.69 86.54 0.00000 5 3 0 12.50 12.36 0.00000 3 5 0 1.78 1.76 0.00000 0 7 0 45.38 44.85 180.00000 3 3 4 1.37 1.25 0.00000 4 4 1 52.81 50.53 180.00000 4 3 3 431.67 387.07 180.00000 3 4 3 10.42 9.34 180.00000 0 0 6 156.08 149.74 180.00000 4 2 4 165.87 158.79 180.00000 2 4 4 88.67 84.88 180.00000 5 3 1 19.39 18.71 180.00000 3 5 1 55.09 53.15 180.00000 0 7 1 33.05 31.88 0.00000 0 4 5 8.60 8.51 180.00000 0 1 6 73.85 74.85 180.00000 5 2 3 50.35 47.81 0.00000 2 5 3 66.96 63.57 0.00000 6 2 0 10.49 9.41 180.00000 2 6 0 53.44 47.97 180.00000 1 1 6 215.76 203.84 0.00000 5 1 4 81.70 75.65 180.00000 1 5 4 17.72 16.41 0.00000 6 2 1 64.43 60.22 180.00000 2 6 1 216.87 202.70 180.00000 4 4 2 30.68 29.73 180.00000 3 2 5 79.02 79.79 0.00000 2 3 5 95.45 96.38 0.00000 0 2 6 5.40 5.25 180.00000 5 3 2 194.69 198.10 180.00000 3 5 2 86.18 87.69 180.00000 0 7 2 0.90 0.92 180.00000 1 6 3 65.72 65.52 0.00000 6 1 3 60.33 60.15 0.00000 4 1 5 14.68 14.73 0.00000 1 4 5 3.62 3.63 0.00000 1 7 0 71.98 74.64 0.00000 7 1 0 0.12 0.13 180.00000 2 1 6 23.93 24.25 0.00000 1 2 6 1.26 1.28 180.00000 2 6 2 27.07 26.62 0.00000 6 2 2 33.29 32.73 180.00000 0 6 4 41.18 38.60 0.00000 1 7 1 25.57 23.96 180.00000 7 1 1 150.70 141.22 180.00000 0 3 6 0.31 0.30 0.00000 3 4 4 4.44 4.34 180.00000 4 3 4 85.15 83.38 180.00000 0 5 5 17.37 16.94 180.00000 4 4 3 1.36 1.35 0.00000 5 4 0 103.53 111.33 0.00000 4 5 0 9.90 10.64 0.00000 5 2 4 49.90 54.41 0.00000 2 5 4 7.36 8.02 180.00000 3 5 3 37.85 39.96 0.00000 5 3 3 37.41 39.49 0.00000 0 7 3 1.98 2.09 180.00000 3 3 5 223.44 231.34 0.00000 2 2 6 191.56 189.98 0.00000 4 5 1 50.08 51.08 0.00000 5 4 1 12.50 12.75 180.00000 1 7 2 6.11 6.07 180.00000 7 1 2 208.53 207.34 0.00000 2 4 5 8.16 7.81 180.00000 4 2 5 33.45 32.04 0.00000 3 6 0 5.45 5.05 180.00000 6 3 0 19.27 17.85 0.00000 1 3 6 162.70 161.13 180.00000 3 1 6 0.23 0.23 0.00000 0 8 0 50.46 48.48 0.00000 6 3 1 52.83 51.08 0.00000 3 6 1 0.23 0.23 0.00000 6 2 3 133.22 129.00 0.00000 2 6 3 198.34 192.06 0.00000 1 6 4 176.25 173.44 180.00000 6 1 4 112.67 110.88 180.00000 0 8 1 3.18 3.09 0.00000 5 1 5 82.97 86.08 180.00000 1 5 5 8.55 8.87 180.00000 0 4 6 168.06 180.57 180.00000 4 5 2 97.79 101.84 180.00000 5 4 2 255.03 265.60 180.00000 7 2 0 32.70 32.05 180.00000 2 7 0 16.36 16.03 180.00000 7 2 1 21.67 20.78 0.00000 2 7 1 3.99 3.82 180.00000 6 3 2 19.48 17.60 0.00000 3 6 2 139.94 126.42 0.00000 3 2 6 27.41 26.71 180.00000 2 3 6 0.00 0.00 0.00000 0 1 7 0.61 0.59 0.00000 1 7 3 1.53 1.52 0.00000 7 1 3 105.52 105.15 0.00000 0 8 2 205.75 202.61 180.00000 4 4 4 235.75 245.28 0.00000 0 6 5 5.06 5.10 0.00000 4 1 6 0.29 0.28 0.00000 1 4 6 30.17 29.48 180.00000 3 5 4 5.87 5.95 0.00000 5 3 4 36.59 37.04 0.00000 0 7 4 35.25 35.68 180.00000 1 1 7 10.64 10.77 0.00000 3 4 5 0.21 0.20 0.00000 4 3 5 176.39 173.28 0.00000 0 2 7 1.82 1.82 180.00000 7 2 2 9.26 9.57 0.00000 2 7 2 3.70 3.82 180.00000 8 1 0 6.70 6.87 0.00000 1 8 0 23.29 23.88 0.00000 5 4 3 10.04 9.67 0.00000 4 5 3 27.37 26.36 180.00000 5 2 5 22.32 21.90 180.00000 2 5 5 51.29 50.31 180.00000 6 2 4 2.79 2.66 180.00000 2 6 4 104.64 99.78 180.00000 8 1 1 0.70 0.62 0.00000 1 8 1 0.83 0.73 180.00000 5 5 0 129.29 125.57 0.00000 0 5 6 284.16 278.98 180.00000 2 1 7 240.11 245.82 0.00000 1 2 7 127.78 130.82 0.00000 6 3 3 19.89 18.21 180.00000 3 6 3 21.82 19.97 0.00000 6 4 0 25.10 24.40 0.00000 4 6 0 20.00 19.44 180.00000