#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2102194.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_2102194_Fobs loop_ _publ_author_name 'Guelylah, A.' 'Madariaga, G.' 'Morgenroth, W.' 'Aroyo, M. I.' 'Breczewski, T.' 'Bocanegra, E. H.' _publ_section_title ; X-ray structure determination of the monoclinic (121K) and orthorhombic (85K) phases of langbeinite-type dithallium dicadmium sulfate ; _journal_coeditor_code NA0103 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 921 _journal_page_last 935 _journal_volume 56 _journal_year 2000 _space_group_IT_number 19 _symmetry_space_group_name_Hall 'P 2ac 2ab' _symmetry_space_group_name_H-M 'P 21 21 21' _[local]_cod_data_source_file na010385Ksup3.hkl _[local]_cod_data_source_block 85K loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_meas _refln_F_calc _refln_F_sigma 0 0 -12 38.4 54.3 30.5 0 0 -10 25.2 36.6 33.3 0 0 -2 19.1 37.9 29.6 0 0 2 41.2 37.9 28.2 0 0 4 65.7 74.4 6.1 0 0 10 32.7 36.6 30.9 0 1 16 84.7 79.1 6.5 0 1 15 0.0 21.1 3.4 0 1 2 22.5 16.1 20.9 0 1 1 24.1 37.5 27.2 0 1 -1 25.5 37.5 27.2 0 1 -2 27.9 16.1 23.7 0 1 -7 80.3 86.3 6.8 0 1 -13 62.6 61.1 8.8 0 1 -15 24.8 21.1 24.8 0 2 -16 52.4 51.7 35.3 0 2 -11 24.1 47.8 32.7 0 2 -8 59.5 65.3 9.2 0 2 -3 83.7 78.8 5.4 0 2 -1 74.2 72.4 5.4 0 2 0 42.2 30.6 28.6 0 2 1 76.9 72.4 5.1 0 2 3 78.9 78.8 5.1 0 2 6 293.6 291.5 4.4 0 2 8 61.9 65.3 7.5 0 2 9 88.1 89.7 5.1 0 2 11 51.7 47.8 7.8 0 2 13 92.2 89.3 5.4 0 3 13 34.4 43.8 26.9 0 3 11 40.1 19.7 28.6 0 3 4 58.5 58.1 6.5 0 3 3 27.5 38.0 28.6 0 3 2 292.5 291.0 4.1 0 3 -1 453.4 448.8 4.1 0 3 -4 57.8 58.1 7.8 0 3 -5 108.2 112.3 4.4 0 3 -7 125.9 102.6 4.4 0 3 -9 78.6 69.3 6.8 0 3 -10 61.9 64.7 8.2 0 3 -11 0.0 19.7 3.4 0 3 -15 54.4 72.3 36.3 0 4 -15 41.8 42.0 31.6 0 4 -14 46.3 43.2 33.4 0 4 -8 53.4 41.3 34.6 0 4 -6 99.3 97.6 5.4 0 4 -2 118.0 121.2 3.7 0 4 1 106.8 105.5 3.7 0 4 8 54.1 41.3 7.1 0 4 15 49.7 42.0 33.6 0 4 16 48.3 26.2 32.7 0 5 16 25.9 27.2 23.9 0 5 15 61.2 59.4 7.8 0 5 11 0.0 20.4 3.4 0 5 10 11.6 42.0 29.9 0 5 9 258.5 254.9 4.1 0 5 6 29.6 33.5 28.4 0 5 2 166.0 170.9 3.1 0 5 -1 288.5 277.3 4.1 0 5 -2 164.0 170.9 3.1 0 5 -5 127.9 131.6 4.1 0 5 -6 13.6 33.5 32.0 0 5 -7 166.0 164.1 3.7 0 5 -10 33.7 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489.6 460.1 4.4 4 5 8 225.9 236.3 3.3 4 5 5 164.9 153.8 2.7 4 7 6 178.8 169.9 2.7 4 8 6 227.9 208.6 3.6 4 9 0 140.9 143.5 3.3 4 11 -9 0.0 37.1 3.0 4 12 -6 0.0 36.6 3.0 4 15 -4 0.0 35.6 3.0 5 11 2 154.5 159.0 3.3 5 9 1 114.9 89.2 3.3 5 8 7 159.6 144.1 3.3 5 7 -7 116.0 85.7 3.8 5 6 5 175.0 163.4 2.7 5 6 -10 0.0 41.7 3.0 5 5 5 294.2 277.8 4.4 5 5 6 218.8 204.6 3.3 5 4 4 147.4 136.3 2.7 5 3 7 196.0 185.1 3.0 5 2 7 214.0 202.9 3.3 5 2 -12 0.0 46.6 3.0 5 1 3 122.3 109.7 3.0 5 1 4 256.4 233.4 3.8 5 1 6 151.3 134.2 2.7 5 0 4 207.5 210.9 3.0 6 0 -14 0.0 53.9 3.0 6 0 3 288.3 262.0 4.1 6 0 6 296.3 277.5 4.4 6 2 4 226.5 207.0 3.3 6 4 6 192.7 179.1 2.7 6 4 8 170.8 152.3 3.0 6 5 2 205.4 217.9 3.0 6 5 0 93.5 99.1 3.8 6 7 9 225.6 212.7 3.3 6 7 3 151.3 162.1 3.0 6 8 5 147.7 136.6 3.3 6 8 6 155.7 142.4 3.3 7 14 -4 0.0 34.6 3.0 7 11 0 236.8 258.9 3.6 7 9 -2 138.5 145.8 3.3 7 8 -1 161.6 165.4 3.0 7 7 12 96.8 71.5 4.4 7 5 2 166.7 171.4 2.7 7 5 10 0.0 34.7 3.0 7 4 6 108.9 90.5 3.6 7 3 0 299.9 333.3 4.4 7 3 4 162.5 155.5 2.7 7 3 14 139.1 124.9 3.8 7 2 10 146.2 132.4 3.3 7 2 5 266.4 248.8 4.1 7 1 -4 90.3 116.7 4.7 7 0 5 193.9 179.0 3.0 8 0 0 394.9 408.5 4.7 8 1 6 172.0 150.2 3.0 8 1 4 220.5 210.3 3.3 8 2 1 137.1 147.3 3.3 8 2 6 183.2 171.4 2.7 8 2 7 213.4 200.6 3.3 8 3 9 131.1 110.9 3.6 8 4 -14 0.0 49.7 3.0 8 4 2 166.1 174.8 3.0 8 4 5 210.8 188.6 3.3 8 4 8 137.1 119.8 3.3 8 6 5 181.5 174.1 3.0 8 8 8 137.9 125.3 3.6 8 11 -8 0.0 48.1 3.0 9 9 9 93.3 81.3 4.7 9 8 10 121.1 103.6 4.1 9 8 9 133.8 113.3 3.8 9 7 2 167.3 180.2 3.3 9 7 6 158.7 144.2 3.3 9 7 7 159.3 142.2 3.3 9 7 8 158.4 147.9 3.6 9 5 8 77.9 54.7 4.7 9 5 10 147.7 134.3 3.6 9 3 6 177.3 159.6 3.0 9 0 13 153.0 142.1 3.8 9 0 8 132.0 123.4 3.3 9 0 5 309.0 281.6 4.7 9 0 -4 126.7 154.2 3.6 9 0 -11 0.0 35.0 3.0 10 0 5 0.0 37.9 3.0 10 0 10 168.1 165.7 3.3 10 0 11 226.2 210.0 3.3 10 1 8 131.1 118.8 3.6 10 1 6 156.0 138.9 3.0 10 2 5 173.5 157.9 3.0 10 2 8 144.8 134.1 3.3 10 3 12 131.4 122.9 3.8 10 3 9 122.9 112.0 3.8 10 3 5 159.3 150.1 3.0 10 3 1 146.5 155.4 3.3 10 3 -1 150.7 163.3 3.0 10 3 -6 110.1 77.6 4.1 10 4 10 128.2 109.2 3.8 10 5 7 168.1 156.2 3.3 10 6 3 109.8 96.8 3.8 11 7 8 85.3 67.0 5.0 11 5 6 129.4 115.9 3.8 11 3 9 135.0 121.5 3.6 11 1 0 161.3 132.2 3.0 11 1 4 169.6 152.5 3.0 11 1 9 82.6 62.5 5.0 11 1 12 93.5 79.8 5.0 12 0 4 122.3 102.2 3.8 12 0 9 157.5 138.2 3.3 12 9 -4 0.0 53.3 3.0 13 8 5 0.0 59.4 3.0 13 6 -4 0.0 40.1 3.0 13 4 9 164.0 152.1 3.6 13 1 8 126.7 104.0 3.8 13 1 10 118.1 103.5 4.4 13 0 -10 0.0 48.3 3.0 14 0 -4 71.0 22.7 6.5 14 0 8 74.6 82.9 6.5 15 0 6 105.1 85.1 4.7