#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/30/2103085.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_2103085_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 ck5029250Ksup7.hkl _[local]_cod_data_source_block 250K loop_ _refln_index_h _refln_index_k _refln_index_l _refln_intensity_meas _refln_intensity_calc _refln_intensity_sigma _refln_observed_status 1 1 1 228.1 230.5 1.4 o 2 0 0 16.2 11.2 4.7 o 2 2 -2 13570.0 11905.7 324.0 o 2 2 0 118.9 217.1 9.5 o 2 2 2 12680.0 12987.4 66.3 o 3 1 -1 1007.0 1002.6 15.4 o 3 1 1 932.7 1043.7 18.9 o 3 3 -3 3697.0 4505.9 43.7 o 3 3 -1 1357.0 1351.2 21.9 o 3 3 1 1513.0 1211.3 26.8 o 3 3 3 4233.0 4084.9 17.2 o 4 0 0 1664.0 1645.1 20.3 o 4 2 -2 826.4 847.7 22.9 o 4 2 0 117.7 67.8 7.8 o 4 2 2 828.1 860.2 22.0 o 4 4 -4 304.5 297.4 11.3 o 4 4 -2 359.5 373.6 11.5 o 4 4 0 13340.0 13087.9 65.7 o 4 4 2 358.6 379.6 16.2 o 4 4 4 216.3 381.3 18.1 o 5 1 -1 4305.0 4238.8 42.8 o 5 1 1 4376.0 4295.9 38.7 o 5 3 -3 528.0 523.0 18.3 o 5 3 -1 816.3 828.6 22.4 o 5 3 1 873.7 761.0 21.4 o 5 3 3 549.6 524.0 21.3 o 5 5 -5 2121.0 2100.1 30.8 o 5 5 -3 897.3 933.9 24.6 o 5 5 -1 266.2 171.6 22.9 o 5 5 1 174.6 250.5 15.0 o 5 5 3 873.6 981.1 21.1 o 5 5 5 2123.0 2086.7 19.3 o 6 0 0 685.9 630.1 27.6 o 6 2 -2 2269.0 2678.7 35.1 o 6 2 0 801.3 758.7 25.0 o 6 2 2 2609.0 2334.1 31.5 o 6 4 -4 31.3 41.1 7.5 o 6 4 -2 167.4 120.1 12.9 o 6 4 0 20.2 0.7 9.1 o 6 4 2 138.3 137.4 11.8 o 6 4 4 20.9 36.2 6.6 o 6 6 -6 867.7 964.7 25.1 o 6 6 -4 428.4 423.3 12.5 o 6 6 -2 2499.0 2347.2 28.0 o 6 6 0 1656.0 1642.0 31.2 o 6 6 2 2340.0 2516.1 41.0 o 6 6 4 446.9 441.6 25.8 o 6 6 6 962.3 819.5 27.2 o 7 1 -1 972.0 947.3 27.5 o 7 1 1 866.7 1048.0 31.9 o 7 3 -3 1060.0 996.1 26.3 o 7 3 -1 81.7 57.1 10.5 o 7 3 1 49.2 88.3 9.4 o 7 3 3 965.1 1131.9 25.5 o 7 5 -5 293.3 385.4 17.6 o 7 5 -3 715.5 744.6 26.4 o 7 5 -1 332.0 326.7 26.3 o 7 5 1 300.9 323.7 17.1 o 7 5 3 736.1 719.4 28.8 o 7 5 5 327.9 341.7 24.7 o 7 7 -7 683.5 600.2 40.7 o 7 7 -5 83.3 70.5 24.9 o 7 7 -3 26.9 66.0 9.3 o 7 7 -1 252.9 297.6 19.2 o 7 7 1 290.0 264.8 18.3 o 7 7 3 56.5 41.6 17.1 o 7 7 5 57.3 91.2 14.0 o 7 7 7 647.8 682.5 54.4 o 8 0 0 4192.0 4006.9 62.0 o 8 2 -2 92.3 124.6 14.7 o 8 2 0 52.9 37.9 7.1 o 8 2 2 105.8 113.6 17.0 o 8 4 -4 2844.0 2841.4 63.2 o 8 4 -2 322.4 388.1 20.2 o 8 4 0 197.1 202.5 21.5 o 8 4 2 312.9 404.3 21.7 o 8 4 4 2915.0 2744.9 44.9 o 8 6 -6 46.6 28.8 12.0 o 8 6 -4 77.9 31.4 12.2 o 8 6 -2 20.0 10.4 10.0 < 8 6 0 5.9 0.1 6.2 < 8 6 2 19.6 8.2 8.7 o 8 6 4 68.3 36.8 13.3 o 8 6 6 25.5 30.9 10.1 o 8 8 -8 533.0 506.7 40.9 o 8 8 -6 35.6 45.7 20.0 < 8 8 -4 118.1 128.9 18.0 o 8 8 -2 402.4 381.1 25.8 o 8 8 0 1134.0 1018.8 32.3 o 8 8 2 401.5 380.5 37.1 o 8 8 4 128.0 140.0 17.8 o 8 8 6 30.2 50.8 19.8 < 8 8 8 488.8 488.4 16.5 o 9 1 -1 544.4 410.1 23.7 o 9 1 1 412.3 499.0 17.6 o 9 3 -3 124.2 130.2 19.7 o 9 3 -1 498.8 521.6 23.4 o 9 3 1 482.7 534.8 25.1 o 9 3 3 158.0 107.1 23.2 o 9 5 -5 224.6 200.7 18.9 o 9 5 -3 249.3 275.6 23.9 o 9 5 -1 331.2 358.9 15.7 o 9 5 1 357.8 347.4 28.7 o 9 5 3 283.7 249.1 22.6 o 9 5 5 169.9 258.4 18.8 o 9 7 -7 258.4 224.8 16.1 o 9 7 -5 157.8 157.9 21.1 o 9 7 -3 71.7 60.4 21.7 o 9 7 -1 402.6 422.3 25.3 o 9 7 1 412.7 405.0 27.5 o 9 7 3 47.7 65.1 15.4 o 9 7 5 154.8 167.8 25.0 o 9 7 7 239.6 218.2 30.3 o 9 9 -9 22.7 16.4 10.3 o 9 9 -7 124.6 149.0 27.8 o 9 9 -5 174.1 197.6 46.7 o 9 9 -3 119.7 146.9 14.1 o 9 9 -1 100.9 106.8 17.2 o 9 9 1 97.2 112.9 16.4 o 9 9 3 121.4 134.3 20.7 o 9 9 5 163.5 184.6 26.6 o 9 9 7 155.4 132.7 28.2 o 9 9 9 21.7 25.0 12.2 < 10 0 0 8.0 16.8 6.2 < 10 2 -2 1107.0 1145.9 27.6 o 10 2 0 262.0 241.6 19.6 o 10 2 2 1058.0 1177.7 30.9 o 10 4 -4 33.4 44.7 9.5 o 10 4 -2 231.0 203.0 19.0 o 10 4 0 13.3 3.6 10.5 < 10 4 2 208.2 214.0 21.8 o 10 4 4 64.8 34.0 14.8 o 10 6 -6 576.4 577.9 32.3 o 10 6 -4 133.6 124.6 25.2 o 10 6 -2 478.0 464.6 34.1 o 10 6 0 367.2 396.1 28.9 o 10 6 2 515.7 459.1 29.1 o 10 6 4 150.4 122.4 25.5 o 10 6 6 569.0 578.9 34.1 o 10 8 -8 38.5 22.1 19.2 o 10 8 -6 42.5 44.7 17.2 o 10 8 -4 9.2 8.4 11.5 < 10 8 -2 48.5 39.1 13.7 o 10 8 0 16.6 0.5 11.4 < 10 8 2 44.1 41.8 12.3 o 10 8 4 7.0 7.8 7.4 < 10 8 6 41.4 47.4 18.3 o 10 8 8 29.2 25.1 9.6 o 10 10 -8 78.4 27.1 47.5 < 10 10 -6 100.0 102.7 25.4 o 10 10 -4 158.9 131.9 27.2 o 10 10 -2 250.8 272.2 32.2 o 10 10 0 161.8 95.5 24.1 o 10 10 2 248.7 271.4 32.6 o 10 10 4 127.2 125.1 22.8 o 10 10 6 72.0 109.8 18.3 o 10 10 8 21.5 24.7 52.1 < 11 1 -1 52.5 65.8 10.4 o 11 1 1 71.8 45.1 8.7 o 11 3 -3 14.0 1.9 10.9 < 11 3 -1 362.4 420.4 24.7 o 11 3 1 385.6 403.5 29.6 o 11 3 3 7.4 7.8 5.3 < 11 5 -5 83.2 123.7 16.0 o 11 5 -3 52.4 45.7 15.6 o 11 5 -1 151.4 159.2 16.4 o 11 5 1 166.6 155.9 25.9 o 11 5 3 51.3 43.1 13.2 o 11 5 5 92.8 121.7 17.6 o 11 7 -7 10.5 3.5 10.4 < 11 7 -5 132.0 131.0 28.2 o 11 7 -3 238.4 260.3 29.9 o 11 7 -1 53.5 52.0 16.4 o 11 7 1 57.7 56.9 19.7 o 11 7 3 215.8 275.7 27.3 o 11 7 5 172.1 119.2 22.5 o 11 7 7 8.4 8.9 9.2 < 11 9 -7 16.7 20.2 10.0 < 11 9 -5 161.9 163.8 29.2 o 11 9 -3 180.7 137.2 28.0 o 11 9 -1 61.9 64.6 16.3 o 11 9 1 71.8 72.1 22.8 o 11 9 3 137.0 140.5 21.0 o 11 9 5 159.3 153.7 21.6 o 11 9 7 13.6 19.8 8.2 < 11 11 -5 17.4 19.3 34.2 < 11 11 -3 15.6 7.5 10.0 < 11 11 -1 47.9 45.2 17.3 o 11 11 1 34.7 39.6 17.4 < 11 11 3 13.6 9.0 12.3 < 12 0 0 138.4 127.9 17.1 o 12 2 -2 35.7 44.4 7.9 o 12 2 0 158.0 149.0 16.6 o 12 2 2 49.5 35.0 20.5 o 12 4 -4 300.1 216.1 36.2 o 12 4 -2 125.0 125.6 23.4 o 12 4 0 707.0 698.0 28.2 o 12 4 2 126.4 129.4 21.5 o 12 4 4 258.3 226.9 23.6 o 12 6 -6 12.9 24.4 8.8 < 12 6 -4 46.3 41.1 14.0 o 12 6 -2 9.4 0.1 9.2 < 12 6 0 143.7 121.1 16.3 o 12 6 2 13.2 0.2 13.1 < 12 6 4 41.2 47.1 13.8 o 12 6 6 22.5 24.5 14.2 < 12 8 -8 81.1 92.8 32.0 o 12 8 -6 59.3 45.8 24.1 o 12 8 -4 260.4 263.3 30.9 o 12 8 -2 89.6 79.2 17.7 o 12 8 0 168.5 150.2 28.5 o 12 8 2 94.4 81.9 18.0 o 12 8 4 271.2 260.0 35.6 o 12 8 6 65.3 45.5 17.3 o 12 8 8 170.2 102.1 63.0 o 12 10 -4 25.5 15.8 14.1 < 12 10 -2 20.4 8.5 12.1 < 12 10 0 2.3 11.5 7.4 < 12 10 2 9.8 9.2 7.9 < 12 10 4 20.3 17.7 3.1 o 13 1 -1 82.3 130.5 19.1 o 13 1 1 82.1 123.4 24.0 o 13 3 -3 39.6 29.0 21.3 < 13 3 -1 191.6 190.8 28.4 o 13 3 1 185.5 188.2 21.2 o 13 3 3 19.3 32.8 12.6 < 13 5 -5 34.5 51.0 12.6 o 13 5 -3 38.3 36.5 20.4 < 13 5 -1 126.9 111.3 25.6 o 13 5 1 127.4 118.3 22.2 o 13 5 3 33.5 37.5 11.3 o 13 5 5 27.4 46.2 13.4 o 13 7 -7 14.7 19.7 25.4 < 13 7 -5 120.2 108.5 24.4 o 13 7 -3 139.7 159.0 24.7 o 13 7 -1 5.1 8.2 6.5 < 13 7 1 10.9 7.2 9.9 < 13 7 3 158.1 153.9 25.3 o 13 7 5 94.1 106.0 20.3 o 13 7 7 38.3 19.4 43.7 < 13 9 -3 50.3 54.3 15.9 o 13 9 -1 7.4 19.4 10.9 < 13 9 1 14.4 19.3 7.6 < 13 9 3 54.5 53.9 13.4 o 13 9 5 23.9 35.2 39.3 < 14 0 0 27.5 14.9 4.9 o 14 2 -2 241.4 243.0 25.0 o 14 2 0 53.6 63.6 15.1 o 14 2 2 252.6 228.0 29.5 o 14 4 -4 13.9 7.8 11.4 < 14 4 -2 51.1 54.7 18.4 o 14 4 0 9.4 0.7 7.6 < 14 4 2 47.9 55.5 16.6 o 14 4 4 10.1 4.7 8.0 < 14 6 -6 53.6 80.7 22.4 o 14 6 -4 38.3 44.4 17.7 o 14 6 -2 210.6 217.8 23.2 o 14 6 0 16.7 29.2 11.4 < 14 6 2 214.5 212.9 31.2 o 14 6 4 41.2 44.5 18.8 o 14 6 6 94.6 84.5 52.3 < 14 8 -2 17.7 28.1 14.8 < 14 8 0 8.0 0.9 4.2 < 14 8 2 24.2 29.0 7.4 o 14 8 4 12.5 12.5 0.3 o 15 1 -1 151.7 124.0 34.5 o 15 1 1 125.7 122.9 25.0 o 15 3 -3 65.9 76.7 17.4 o 15 3 -1 17.8 13.7 12.5 < 15 3 1 15.2 13.2 9.3 < 15 3 3 65.5 81.3 24.7 o 15 5 -3 48.9 59.3 24.3 o 15 5 -1 67.1 52.3 27.0 o 15 5 1 40.3 57.2 11.4 o 15 5 3 35.6 64.3 13.6 o 15 5 5 88.5 90.6 40.5 o 15 7 -1 47.8 42.7 38.6 < 15 7 1 41.0 42.0 40.1 < 16 2 -2 0.3 2.1 24.3 < 16 2 0 55.4 49.4 10.8 o 16 2 2 -4.4 2.9 11.5 < 16 4 -2 19.5 34.1 13.3 < 16 4 0 80.9 80.8 22.4 o