#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/67/2016742.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2016742_Fobs loop_ _publ_author_name 'Grzechnik, A.' 'Friese, K.' _publ_section_title ; Tl~2~CO~3~ at 3.56 GPa ; _journal_coeditor_code SQ3152 _journal_issue 8 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first i69 _journal_page_last i70 _journal_volume 64 _journal_year 2008 _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _[local]_cod_data_source_file sq3152Isup2.hkl _[local]_cod_data_source_block I loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_meas _refln_F_calc _refln_F_sigma _refln_observed_status 0 2 0 311.93 337.20 3.49 o 2 2 0 76.44 69.11 3.06 o 1 3 0 37.77 37.35 3.13 o 0 4 0 195.00 203.16 2.70 o 2 4 0 42.44 36.43 3.10 o 1 5 0 22.06 17.42 7.52 < 3 5 0 66.52 65.71 2.28 o 0 6 0 85.89 90.15 2.04 o 2 6 0 21.84 19.46 4.92 < -1 1 1 155.09 140.39 2.34 o -2 2 1 62.76 56.69 2.44 o 0 2 1 89.32 84.04 2.05 o -3 3 1 146.09 146.64 1.89 o -1 3 1 106.92 109.16 1.90 o 1 3 1 163.97 168.54 1.98 o -4 4 1 100.55 98.57 2.56 o -2 4 1 32.93 26.42 4.86 o 0 4 1 34.50 33.38 3.57 o 2 4 1 15.44 17.54 9.59 < -3 5 1 83.19 84.00 2.10 o -1 5 1 43.05 42.14 3.94 o 1 5 1 83.64 85.88 1.92 o -2 6 1 9.67 9.11 10.48 < 0 6 1 18.34 17.04 5.81 < 2 6 1 28.24 11.17 6.13 < -2 0 2 146.92 133.45 2.64 o -3 1 2 300.17 303.55 3.31 o -1 1 2 54.97 54.10 3.17 o -4 2 2 95.15 87.94 2.16 o -2 2 2 150.29 144.08 2.22 o 0 2 2 233.61 255.97 2.73 o -3 3 2 194.73 201.29 2.22 o -1 3 2 26.70 27.08 4.41 o 1 3 2 24.30 16.91 5.41 < -4 4 2 30.28 32.80 4.27 o -2 4 2 69.44 72.98 2.11 o 0 4 2 144.89 143.34 1.88 o 2 4 2 20.08 15.06 13.51 < -5 5 2 16.20 13.14 11.09 < -3 5 2 95.27 101.79 1.96 o -1 5 2 31.35 29.50 4.12 o 1 5 2 23.51 13.72 9.92 < -4 6 2 17.42 13.29 7.87 < -2 6 2 38.77 36.80 2.37 o 0 6 2 69.85 66.46 1.85 o 2 6 2 0.00 7.84 84.85 < -4 0 3 184.50 175.81 2.89 o -2 0 3 231.70 224.62 2.82 o -5 1 3 0.00 0.39 106.60 < -3 1 3 125.75 119.52 2.08 o -4 2 3 131.23 127.21 1.75 o -2 2 3 151.18 144.27 1.89 o 0 2 3 116.71 115.38 2.04 o -5 3 3 16.94 16.07 8.68 < -3 3 3 77.34 74.76 2.16 o -6 4 3 117.81 124.84 3.32 o -4 4 3 77.54 80.14 2.10 o -2 4 3 96.43 95.00 1.81 o 0 4 3 68.37 66.07 2.18 o -5 5 3 4.60 4.57 19.91 < -3 5 3 42.72 43.83 2.49 o -1 5 3 11.84 4.28 9.54 < 1 5 3 95.89 84.87 2.81 o -4 6 3 37.55 36.62 2.66 o -2 6 3 38.69 40.96 2.37 o 0 6 3 28.67 32.66 4.44 o -6 0 4 87.10 81.55 3.19 o -4 0 4 21.27 11.34 10.50 < -2 0 4 105.36 104.76 2.51 o -5 1 4 147.28 139.41 1.82 o -3 1 4 237.23 239.72 2.57 o -1 1 4 13.33 3.07 8.58 < -6 2 4 100.68 91.80 1.97 o -4 2 4 17.70 6.20 8.33 < -2 2 4 66.62 66.67 2.27 o 0 2 4 82.03 96.52 3.35 o -7 3 4 86.35 83.71 2.41 o -5 3 4 89.00 90.42 2.72 o -3 3 4 176.32 178.01 2.02 o -1 3 4 12.35 1.12 11.45 < -6 4 4 49.38 47.48 3.31 o -4 4 4 10.36 10.03 12.84 < -2 4 4 54.14 49.87 2.39 o 0 4 4 69.10 51.22 2.79 o -5 5 4 53.69 53.41 1.59 o -3 5 4 89.86 88.48 1.62 o -1 5 4 0.00 2.50 71.50 < -6 6 4 25.67 23.89 4.30 < -4 6 4 8.09 8.32 11.00 < -2 6 4 27.53 23.99 3.19 o -6 0 5 183.30 182.40 2.33 o -4 0 5 51.20 45.53 4.19 o -2 0 5 178.99 192.50 2.32 o -7 1 5 89.35 84.41 2.47 o -5 1 5 69.97 65.18 2.33 o -3 1 5 14.61 6.89 8.95 < -1 1 5 20.75 26.27 8.94 < -8 2 5 30.91 28.84 6.03 < -6 2 5 169.24 169.83 2.03 o -4 2 5 33.49 23.17 6.25 < -2 2 5 166.54 166.82 1.93 o -7 3 5 56.54 56.27 5.19 o -5 3 5 47.84 44.39 2.33 o -3 3 5 11.65 10.08 11.07 < -1 3 5 7.91 25.68 16.04 < -8 4 5 17.36 21.21 9.34 < -6 4 5 92.71 98.11 1.48 o -4 4 5 25.44 18.62 3.69 o -2 4 5 110.93 100.83 1.61 o -7 5 5 38.97 36.86 2.16 o -5 5 5 19.86 20.14 5.07 < -3 5 5 12.39 1.95 7.19 < -1 5 5 16.83 13.90 9.09 < -4 6 5 15.15 7.27 9.40 < -8 0 6 75.73 75.27 3.51 o -6 0 6 133.31 133.58 2.20 o -4 0 6 0.00 0.46 101.40 < -2 0 6 6.59 4.46 31.15 < -7 1 6 33.20 30.59 4.81 o -5 1 6 116.62 118.44 1.81 o -3 1 6 117.53 124.34 1.72 o -1 1 6 0.00 48.76 107.63 < -8 2 6 57.31 56.21 3.78 o -6 2 6 107.83 107.30 1.74 o -4 2 6 19.27 14.43 7.00 < -2 2 6 15.14 1.28 8.12 < -9 3 6 24.06 19.45 6.90 < -7 3 6 4.12 14.93 30.24 < -5 3 6 92.17 84.48 1.94 o -3 3 6 93.27 87.13 1.62 o -8 4 6 38.21 37.38 2.90 o -6 4 6 68.80 70.76 1.40 o -4 4 6 8.67 6.93 10.62 < -2 4 6 20.36 2.57 7.78 < -7 5 6 16.80 9.89 8.35 < -5 5 6 50.27 49.70 1.90 o -3 5 6 59.45 50.36 2.11 o -8 0 7 25.09 21.13 9.99 < -6 0 7 84.71 80.67 2.50 o -4 0 7 28.64 33.81 6.54 < -9 1 7 128.14 134.62 2.08 o -7 1 7 24.88 24.49 5.29 < -5 1 7 83.84 89.38 2.41 o -3 1 7 22.45 27.94 4.47 < -8 2 7 25.53 10.62 4.92 < -6 2 7 72.91 69.85 1.70 o -4 2 7 17.01 22.28 4.98 < -2 2 7 0.00 98.24 120.81 < -9 3 7 99.43 100.60 2.13 o -7 3 7 25.68 21.94 4.21 o -5 3 7 68.94 68.78 1.93 o -3 3 7 31.87 22.15 5.37 < -8 4 7 9.20 12.30 10.55 < -6 4 7 41.72 43.13 2.14 o -4 4 7 20.62 18.59 4.66 < -8 0 8 80.19 84.95 1.95 o -6 0 8 89.93 88.77 2.12 o -4 0 8 26.52 20.69 5.06 < -9 1 8 28.76 24.07 6.17 < -7 1 8 11.70 2.87 8.50 < -5 1 8 54.56 57.04 1.91 o -3 1 8 5.60 31.91 24.18 < -10 2 8 35.23 32.72 5.05 o -8 2 8 78.08 78.97 1.45 o -6 2 8 73.72 72.12 1.52 o -4 2 8 27.75 18.98 4.44 o -9 3 8 16.02 16.03 7.25 < -7 3 8 0.00 3.79 65.95 < -5 3 8 50.86 45.47 4.08 o -8 0 9 17.86 17.09 11.10 < -6 0 9 16.62 13.06 12.43 < -9 1 9 72.99 75.19 2.70 o -7 1 9 21.00 13.64 6.52 < -5 1 9 66.30 68.82 3.50 o -8 2 9 10.85 12.27 12.26 < -6 2 9 9.50 6.69 24.96 <