#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2103088.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_2103088_Fobs loop_ _publ_author_name 'Albert, St\'ephanie' 'Pillet, S\'ebastien' 'Lecomte, Claude' 'Pradel, Annie' 'Ribes, Michel' _publ_section_title ; Disorder in Ag~7~GeSe~5~I, a superionic conductor: temperature-dependent anharmonic structural study ; _journal_coeditor_code CK5029 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 1 _journal_page_last 11 _journal_volume 64 _journal_year 2008 _space_group_IT_number 216 _symmetry_space_group_name_Hall 'F -4 2 3' _symmetry_space_group_name_H-M 'F -4 3 m' _[local]_cod_data_source_file ck5029425Ksup10.hkl _[local]_cod_data_source_block 425K loop_ _refln_index_h _refln_index_k _refln_index_l _refln_intensity_meas _refln_intensity_calc _refln_intensity_sigma _refln_observed_status 1 1 1 297.6 289.3 1.7 o 2 0 0 8.4 13.1 0.7 o 2 2 -2 14910.0 14831.9 17.8 o 2 2 0 132.6 188.3 1.9 o 2 2 2 15330.0 16147.9 43.8 o 3 1 -1 1084.0 1067.5 2.8 o 3 1 1 1169.0 1104.7 5.0 o 3 3 -3 4562.0 4331.9 32.0 o 3 3 -1 1268.0 1284.3 3.4 o 3 3 1 1138.0 1137.4 3.5 o 3 3 3 3806.0 3887.4 8.1 o 4 0 0 1941.0 1994.8 4.9 o 4 2 -2 1252.0 1258.7 2.9 o 4 2 0 109.9 109.7 0.8 o 4 2 2 1248.0 1272.8 3.2 o 4 4 -4 194.9 195.1 3.4 o 4 4 -2 245.5 240.4 1.9 o 4 4 0 14910.0 14922.0 13.7 o 4 4 2 248.4 244.4 2.4 o 4 4 4 254.8 277.5 3.1 o 5 1 -1 4737.0 4536.6 14.4 o 5 1 1 4603.0 4591.4 9.2 o 5 3 -3 689.2 667.6 3.6 o 5 3 -1 838.4 813.8 2.0 o 5 3 1 758.5 750.6 2.1 o 5 3 3 636.3 630.9 2.7 o 5 5 -5 1373.0 1297.7 10.0 o 5 5 -3 708.6 712.6 4.8 o 5 5 -1 116.1 119.7 1.4 o 5 5 1 173.7 188.7 1.9 o 5 5 3 737.3 756.2 3.8 o 5 5 5 1343.0 1323.4 6.7 o 6 0 0 671.4 673.3 3.7 o 6 2 -2 2548.0 2519.0 5.1 o 6 2 0 787.4 786.3 2.1 o 6 2 2 2207.0 2201.6 4.7 o 6 4 -4 9.8 11.1 1.0 o 6 4 -2 195.5 199.3 1.5 o 6 4 0 73.5 70.6 1.2 o 6 4 2 211.3 214.1 1.5 o 6 4 4 10.9 9.9 1.2 o 6 6 -6 780.0 773.1 5.6 o 6 6 -4 356.0 355.4 3.7 o 6 6 -2 1851.0 1847.0 7.3 o 6 6 0 987.4 953.2 5.5 o 6 6 2 1957.0 1978.6 6.4 o 6 6 4 375.0 376.7 4.1 o 6 6 6 630.5 656.7 6.1 o 7 1 -1 810.6 792.4 3.4 o 7 1 1 866.3 873.7 4.2 o 7 3 -3 473.2 465.6 2.9 o 7 3 -1 115.8 115.0 1.3 o 7 3 1 132.3 142.5 1.6 o 7 3 3 552.5 547.8 3.7 o 7 5 -5 250.1 296.1 4.4 o 7 5 -3 522.3 524.5 3.4 o 7 5 -1 280.0 278.0 2.0 o 7 5 1 284.2 277.0 2.5 o 7 5 3 507.6 510.8 2.4 o 7 5 5 248.0 278.6 3.8 o 7 7 -7 173.0 155.6 3.8 o 7 7 -5 57.7 55.7 2.3 o 7 7 -3 58.6 58.3 2.7 o 7 7 -1 186.3 191.1 2.4 o 7 7 1 162.0 169.1 4.1 o 7 7 3 38.2 37.8 1.9 o 7 7 5 60.8 58.1 2.0 o 7 7 7 193.8 181.6 4.4 o 8 0 0 3887.0 3829.1 18.4 o 8 2 -2 271.6 287.3 3.1 o 8 2 0 22.0 24.7 0.9 o 8 2 2 268.6 279.9 3.9 o 8 4 -4 2573.0 2541.5 6.1 o 8 4 -2 137.2 150.9 2.0 o 8 4 0 86.2 95.3 1.5 o 8 4 2 138.8 158.6 1.7 o 8 4 4 2529.0 2480.4 7.5 o 8 6 -6 38.8 34.2 2.1 o 8 6 -4 57.0 46.1 1.4 o 8 6 -2 80.4 73.7 1.6 o 8 6 0 3.3 0.1 0.6 o 8 6 2 80.8 69.5 1.6 o 8 6 4 64.5 50.9 1.7 o 8 6 6 45.2 36.4 1.9 o 8 8 -8 411.0 488.3 24.8 o 8 8 -6 6.4 4.0 1.1 o 8 8 -4 47.5 47.4 2.9 o 8 8 -2 155.3 141.4 3.3 o 8 8 0 965.6 979.0 6.0 o 8 8 2 141.0 136.0 3.2 o 8 8 4 62.8 56.4 2.7 o 8 8 6 7.3 5.6 1.0 o 8 8 8 406.8 460.7 15.6 o 9 1 -1 333.8 356.7 3.8 o 9 1 1 376.6 415.0 3.8 o 9 3 -3 118.8 125.1 2.5 o 9 3 -1 473.6 449.7 2.7 o 9 3 1 480.3 462.2 2.8 o 9 3 3 119.9 124.8 2.7 o 9 5 -5 89.0 101.6 3.3 o 9 5 -3 195.9 208.7 2.6 o 9 5 -1 233.9 246.4 2.2 o 9 5 1 231.9 243.3 2.0 o 9 5 3 180.3 189.4 2.1 o 9 5 5 116.9 129.3 2.3 o 9 7 -7 124.0 127.7 3.0 o 9 7 -5 75.5 86.0 2.9 o 9 7 -3 78.7 83.1 2.5 o 9 7 -1 255.1 276.9 3.0 o 9 7 1 256.3 269.7 2.8 o 9 7 3 70.3 77.5 1.9 o 9 7 5 86.0 94.8 2.2 o 9 7 7 133.4 129.6 3.8 o 9 9 -9 39.0 17.3 20.1 < 9 9 -7 60.0 77.2 3.9 o 9 9 -5 40.7 37.3 1.4 o 9 9 -3 59.3 64.1 3.6 o 9 9 -1 70.7 56.3 2.7 o 9 9 1 59.5 60.0 3.0 o 9 9 3 55.3 60.9 2.7 o 9 9 5 40.4 36.5 2.6 o 9 9 7 60.0 71.8 3.8 o 9 9 9 5.5 24.7 8.9 < 10 0 0 61.2 34.3 3.8 o 10 2 -2 761.4 767.4 5.4 o 10 2 0 238.2 206.6 2.3 o 10 2 2 811.0 804.3 5.5 o 10 4 -4 48.6 38.5 2.8 o 10 4 -2 169.0 158.6 2.5 o 10 4 0 2.5 9.6 0.6 o 10 4 2 168.9 168.6 2.4 o 10 4 4 42.3 33.5 2.6 o 10 6 -6 337.5 348.8 4.4 o 10 6 -4 68.2 62.2 2.3 o 10 6 -2 317.1 335.4 3.8 o 10 6 0 250.4 226.2 3.3 o 10 6 2 313.2 320.5 3.2 o 10 6 4 70.5 62.4 2.0 o 10 6 6 348.8 363.0 4.7 o 10 8 -8 13.0 15.8 1.7 o 10 8 -6 32.1 22.8 2.3 o 10 8 -4 3.6 1.0 0.8 o 10 8 -2 34.4 30.1 2.0 o 10 8 0 20.0 20.6 1.4 o 10 8 2 37.3 30.6 2.2 o 10 8 4 7.0 0.8 0.8 o 10 8 6 36.5 26.2 2.7 o 10 8 8 25.5 16.9 5.2 o 10 10 -6 72.7 80.8 8.8 o 10 10 -4 51.3 65.0 4.0 o 10 10 -2 158.5 139.0 6.4 o 10 10 0 30.4 28.6 3.7 o 10 10 2 148.3 145.5 4.9 o 10 10 4 55.1 65.3 3.7 o 10 10 6 73.4 70.9 7.2 o 11 1 -1 54.4 50.6 2.4 o 11 1 1 38.3 41.6 2.9 o 11 3 -3 13.5 23.8 1.4 o 11 3 -1 203.9 209.9 2.9 o 11 3 1 191.5 197.0 2.4 o 11 3 3 19.6 24.3 1.6 o 11 5 -5 50.7 37.1 3.3 o 11 5 -3 46.5 48.2 2.3 o 11 5 -1 142.5 154.8 2.7 o 11 5 1 143.1 153.0 2.1 o 11 5 3 39.6 45.9 1.6 o 11 5 5 47.8 37.4 2.3 o 11 7 -7 11.9 6.0 2.6 o 11 7 -5 81.2 76.6 3.0 o 11 7 -3 68.1 52.4 2.3 o 11 7 -1 36.3 44.1 2.2 o 11 7 1 44.3 47.7 1.7 o 11 7 3 77.9 56.4 3.1 o 11 7 5 72.1 72.1 2.5 o 11 7 7 8.7 6.6 2.1 o 11 9 -7 13.5 11.5 4.2 o 11 9 -5 83.8 82.5 4.9 o 11 9 -3 81.7 86.3 3.8 o 11 9 -1 22.7 31.8 2.8 o 11 9 1 34.3 35.9 2.5 o 11 9 3 101.7 89.0 4.3 o 11 9 5 77.9 80.2 3.7 o 11 9 7 12.6 9.6 15.4 < 11 11 -3 7.4 14.1 8.7 < 11 11 -1 31.5 17.6 4.7 o 11 11 1 24.3 16.1 5.0 o 11 11 3 32.0 13.3 8.8 o 12 0 0 94.9 108.1 4.6 o 12 2 -2 24.7 38.5 1.8 o 12 2 0 57.6 53.8 2.1 o 12 2 2 26.4 32.1 2.0 o 12 4 -4 93.0 89.4 4.0 o 12 4 -2 53.9 57.9 2.7 o 12 4 0 470.3 457.1 4.0 o 12 4 2 50.1 58.5 1.8 o 12 4 4 97.5 99.1 3.2 o 12 6 -6 26.3 27.2 4.1 o 12 6 -4 11.8 5.4 1.1 o 12 6 -2 19.4 18.1 2.0 o 12 6 0 63.0 46.0 2.1 o 12 6 2 10.1 18.3 1.2 o 12 6 4 12.9 6.7 1.4 o 12 6 6 30.1 25.9 6.0 o 12 8 -6 28.9 24.3 2.5 o 12 8 -4 184.2 182.2 4.6 o 12 8 -2 26.6 20.6 3.7 o 12 8 0 46.2 46.8 2.8 o 12 8 2 34.3 22.6 2.8 o 12 8 4 173.5 178.9 3.7 o 12 8 6 29.4 24.8 2.8 o 12 10 -4 7.2 10.2 13.6 < 12 10 -2 11.3 8.3 0.8 o 12 10 0 7.8 0.0 1.6 o 12 10 2 14.7 8.3 3.7 o 12 10 4 25.6 10.6 7.0 o 13 1 -1 50.7 65.3 3.1 o 13 1 1 47.3 62.0 2.5 o 13 3 -3 21.9 39.5 1.8 o 13 3 -1 102.5 94.4 3.3 o 13 3 1 91.7 90.7 2.2 o 13 3 3 30.3 36.3 2.5 o 13 5 -5 12.5 8.5 3.5 o 13 5 -3 14.3 23.4 1.4 o 13 5 -1 64.4 63.8 2.5 o 13 5 1 69.2 64.4 2.8 o 13 5 3 18.9 23.7 2.5 o 13 5 5 17.5 7.3 3.1 o 13 7 -5 73.3 49.3 4.8 o 13 7 -3 68.1 62.2 4.0 o 13 7 -1 9.2 12.4 1.7 o 13 7 1 13.6 12.9 2.3 o 13 7 3 69.9 62.5 2.7 o 13 7 5 54.5 46.6 3.0 o 13 9 -3 16.5 29.7 5.8 o 13 9 -1 4.7 2.4 0.3 o 13 9 1 12.8 2.6 4.4 o 13 9 3 26.8 30.4 17.2 < 14 0 0 12.5 10.4 2.5 o 14 2 -2 132.0 96.9 4.5 o 14 2 0 43.4 61.2 1.8 o 14 2 2 116.6 100.2 3.9 o 14 4 -4 8.8 2.8 2.3 o 14 4 -2 35.0 28.1 3.6 o 14 4 0 12.2 15.6 2.2 o 14 4 2 31.3 28.3 4.5 o 14 4 4 6.6 2.7 1.2 o 14 6 -4 24.7 25.8 3.4 o 14 6 -2 95.8 90.5 6.9 o 14 6 0 18.8 7.7 2.9 o 14 6 2 81.3 90.4 4.6 o 14 6 4 38.1 27.7 8.1 o 14 8 0 15.7 0.0 18.9 < 14 8 2 19.6 11.7 19.7 < 15 1 -1 66.7 52.8 4.2 o 15 1 1 50.5 52.8 4.7 o 15 3 -3 17.9 31.0 4.5 o 15 3 -1 17.4 17.5 2.9 o 15 3 1 8.7 18.0 2.7 o 15 3 3 19.0 29.7 2.2 o 15 5 -3 25.3 24.6 6.2 o 15 5 -1 26.4 18.9 5.2 o 15 5 1 46.4 20.3 26.7 < 15 5 3 24.5 24.3 14.4 < 16 0 0 101.2 61.5 17.3 o 16 2 0 32.7 20.1 24.6 <