#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2103084.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_2103084_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 ck5029200Ksup6.hkl _[local]_cod_data_source_block 200K loop_ _refln_index_h _refln_index_k _refln_index_l _refln_intensity_meas _refln_intensity_calc _refln_intensity_sigma _refln_observed_status 1 1 -1 217.5 178.6 10.1 o 2 0 0 15.7 0.0 1.9 o 2 2 2 11770.0 12152.9 22.7 o 2 2 0 117.6 194.7 2.5 o 2 2 -2 11100.0 11147.4 24.5 o 3 1 1 888.0 900.5 5.1 o 3 1 -1 809.6 871.9 5.0 o 3 3 3 3375.0 3530.4 17.6 o 3 3 1 1324.0 1250.9 5.9 o 3 3 -1 1425.0 1388.0 6.9 o 3 3 -3 3928.0 3909.2 9.4 o 4 0 0 1383.0 1419.2 7.3 o 4 2 2 690.9 707.0 4.5 o 4 2 0 106.6 73.9 1.9 o 4 2 -2 672.1 691.8 3.4 o 4 4 4 241.4 292.7 6.1 o 4 4 2 373.6 385.0 2.5 o 4 4 0 11430.0 11272.1 15.7 o 4 4 -2 365.7 378.1 5.3 o 4 4 -4 171.7 220.3 4.1 o 5 1 1 3956.0 3848.3 9.9 o 5 1 -1 3890.0 3816.0 8.6 o 5 3 3 443.4 470.1 5.5 o 5 3 1 746.1 713.9 3.5 o 5 3 -1 790.0 780.3 3.2 o 5 3 -3 477.0 464.7 5.4 o 5 5 5 2017.0 1994.1 28.7 o 5 5 3 862.1 906.5 8.6 o 5 5 1 253.1 282.3 4.2 o 5 5 -1 196.2 199.1 3.6 o 5 5 -3 810.0 864.2 7.7 o 5 5 -5 2122.0 2026.8 10.6 o 6 0 0 619.2 542.8 6.7 o 6 2 2 2068.0 2086.4 11.1 o 6 2 0 741.5 717.0 4.3 o 6 2 -2 2379.0 2381.3 8.1 o 6 4 4 42.8 42.7 2.8 o 6 4 2 139.6 133.5 3.1 o 6 4 0 6.3 0.5 0.8 o 6 4 -2 114.4 117.1 1.5 o 6 4 -4 42.1 47.8 3.3 o 6 6 6 830.0 800.2 15.6 o 6 6 4 428.9 451.0 7.5 o 6 6 2 2246.0 2252.0 13.3 o 6 6 0 1710.0 1639.4 10.5 o 6 6 -2 2218.0 2105.5 11.0 o 6 6 -4 420.1 435.0 6.4 o 6 6 -6 973.0 917.1 10.8 o 7 1 1 887.9 912.2 6.4 o 7 1 -1 765.6 817.4 5.7 o 7 3 3 1128.0 1186.5 7.1 o 7 3 1 66.8 64.5 2.6 o 7 3 -1 32.8 37.7 1.7 o 7 3 -3 1049.0 1060.2 7.6 o 7 5 5 295.3 333.6 4.2 o 7 5 3 702.4 705.7 5.3 o 7 5 1 300.3 321.9 3.1 o 7 5 -1 285.6 325.8 3.8 o 7 5 -3 740.2 731.5 6.7 o 7 5 -5 333.2 389.4 5.9 o 7 7 7 948.5 883.9 14.3 o 7 7 5 89.6 86.3 5.7 o 7 7 3 39.3 39.6 5.5 o 7 7 1 271.1 286.7 6.5 o 7 7 -1 309.3 319.6 5.6 o 7 7 -3 50.3 61.7 3.6 o 7 7 -5 64.7 62.6 3.9 o 7 7 -7 839.4 788.5 41.7 o 8 0 0 3942.0 3785.1 19.7 o 8 2 2 40.3 47.4 2.5 o 8 2 0 68.7 59.7 1.9 o 8 2 -2 50.3 52.6 2.2 o 8 4 4 2576.0 2504.6 10.0 o 8 4 2 390.2 436.0 4.9 o 8 4 0 223.4 228.4 4.4 o 8 4 -2 390.2 419.8 5.9 o 8 4 -4 2677.0 2574.4 15.4 o 8 6 6 43.0 42.2 4.0 o 8 6 4 84.4 54.8 3.6 o 8 6 2 11.0 1.8 1.4 o 8 6 0 10.2 0.6 1.3 o 8 6 -2 13.3 4.8 2.0 o 8 6 -4 74.6 47.6 3.6 o 8 6 -6 36.7 37.6 4.2 o 8 8 8 568.4 464.0 32.5 o 8 8 6 48.2 57.2 4.4 o 8 8 4 149.7 194.7 9.3 o 8 8 2 482.4 459.5 9.8 o 8 8 0 1001.0 921.1 11.0 o 8 8 -2 482.3 458.6 7.1 o 8 8 -4 158.2 192.8 6.9 o 8 8 -6 45.1 50.8 4.7 o 8 8 -8 508.5 486.0 9.6 o 9 1 1 535.0 534.2 5.6 o 9 1 -1 416.6 446.5 5.3 o 9 3 3 142.0 137.1 4.7 o 9 3 1 458.9 471.0 4.6 o 9 3 -1 414.8 458.9 4.5 o 9 3 -3 186.0 174.8 5.3 o 9 5 5 248.9 301.9 5.5 o 9 5 3 254.5 254.9 4.9 o 9 5 1 324.9 329.8 3.9 o 9 5 -1 338.0 345.5 4.5 o 9 5 -3 281.3 284.2 5.3 o 9 5 -5 201.0 236.0 6.3 o 9 7 7 260.0 244.3 9.0 o 9 7 5 195.4 195.5 4.8 o 9 7 3 53.4 54.0 3.3 o 9 7 1 417.6 438.0 4.7 o 9 7 -1 407.6 455.5 5.6 o 9 7 -3 41.0 45.4 3.3 o 9 7 -5 179.4 184.2 5.0 o 9 7 -7 282.4 251.9 16.3 o 9 9 9 73.5 35.7 12.9 o 9 9 7 114.6 147.2 5.8 o 9 9 5 216.8 196.9 8.2 o 9 9 3 134.9 146.2 5.7 o 9 9 1 100.9 106.5 4.0 o 9 9 -1 82.7 97.9 3.2 o 9 9 -3 127.2 157.5 5.1 o 9 9 -5 200.1 215.7 8.0 o 9 9 -7 169.1 167.7 9.0 o 9 9 -9 48.0 24.1 14.6 o 10 0 0 8.8 3.2 1.4 o 10 2 2 1125.0 1123.4 14.4 o 10 2 0 243.8 224.4 3.8 o 10 2 -2 1071.0 1088.3 9.8 o 10 4 4 38.4 44.1 3.7 o 10 4 2 234.4 213.0 4.3 o 10 4 0 26.7 17.7 1.8 o 10 4 -2 219.7 202.4 3.8 o 10 4 -4 66.3 58.9 4.1 o 10 6 6 590.1 586.9 12.8 o 10 6 4 143.8 154.5 5.0 o 10 6 2 505.4 512.6 7.0 o 10 6 0 411.6 411.7 5.2 o 10 6 -2 536.3 508.3 7.3 o 10 6 -4 179.0 161.3 4.9 o 10 6 -6 606.1 598.7 12.7 o 10 8 8 30.5 33.5 4.0 o 10 8 6 57.3 56.6 2.6 o 10 8 4 9.6 1.4 2.1 o 10 8 2 46.3 44.9 4.2 o 10 8 0 8.8 0.6 1.4 o 10 8 -2 42.1 41.6 2.8 o 10 8 -4 12.3 2.2 2.0 o 10 8 -6 58.8 52.2 3.9 o 10 8 -8 41.6 28.2 6.2 o 10 10 10 265.9 204.8 70.3 o 10 10 8 71.1 40.6 18.2 o 10 10 6 126.7 122.4 10.0 o 10 10 4 173.6 159.8 9.0 o 10 10 2 245.0 290.7 9.8 o 10 10 0 190.3 186.8 7.9 o 10 10 -2 214.3 295.8 7.9 o 10 10 -4 178.7 169.1 12.3 o 10 10 -6 94.7 114.3 8.7 o 10 10 -8 45.9 45.1 47.8 < 11 1 1 58.1 58.6 4.0 o 11 1 -1 82.9 79.4 4.0 o 11 3 3 17.1 20.4 3.1 o 11 3 1 411.6 420.2 8.7 o 11 3 -1 415.6 432.5 6.1 o 11 3 -3 12.6 9.2 2.3 o 11 5 5 100.2 143.0 6.3 o 11 5 3 60.7 43.1 3.7 o 11 5 1 118.4 124.7 3.8 o 11 5 -1 131.6 133.9 4.4 o 11 5 -3 58.6 47.4 2.7 o 11 5 -5 95.5 146.9 5.5 o 11 7 7 9.7 13.8 2.7 o 11 7 5 148.2 139.9 4.7 o 11 7 3 277.0 314.7 5.7 o 11 7 1 51.5 66.0 3.6 o 11 7 -1 54.1 60.0 3.8 o 11 7 -3 249.1 298.6 4.5 o 11 7 -5 173.1 153.0 6.3 o 11 7 -7 10.0 6.0 1.9 o 11 9 9 23.7 32.4 4.5 o 11 9 7 16.5 24.7 2.7 o 11 9 5 181.8 156.4 5.5 o 11 9 3 192.2 161.1 6.1 o 11 9 1 92.4 79.9 4.9 o 11 9 -1 80.3 72.9 3.8 o 11 9 -3 152.5 155.8 4.5 o 11 9 -5 178.1 172.2 5.5 o 11 9 -7 21.1 23.1 8.8 o 11 11 9 34.3 33.8 0.8 o 11 11 7 77.6 95.5 10.6 o 11 11 5 42.5 44.0 9.4 o 11 11 3 22.9 21.2 2.6 o 11 11 1 42.8 42.6 7.0 o 11 11 -1 58.5 48.1 6.6 o 11 11 -3 15.3 16.9 4.7 o 12 0 0 138.7 112.4 7.8 o 12 2 2 78.7 77.9 5.1 o 12 2 0 195.8 186.4 2.9 o 12 2 -2 86.9 90.9 4.0 o 12 4 4 327.1 326.5 6.4 o 12 4 2 154.2 140.6 4.4 o 12 4 0 710.3 674.0 6.3 o 12 4 -2 155.1 135.4 4.5 o 12 4 -4 312.3 317.9 8.5 o 12 6 6 17.0 20.5 3.0 o 12 6 4 60.8 56.7 4.4 o 12 6 2 12.8 4.4 2.3 o 12 6 0 158.6 160.6 5.6 o 12 6 -2 14.7 1.5 1.8 o 12 6 -4 70.0 49.5 4.4 o 12 6 -6 27.2 19.5 4.4 o 12 8 8 145.3 139.1 13.1 o 12 8 6 69.8 71.4 4.9 o 12 8 4 250.1 256.5 7.8 o 12 8 2 121.4 118.2 5.1 o 12 8 0 173.6 181.1 6.6 o 12 8 -2 147.4 115.6 4.8 o 12 8 -4 260.2 253.1 5.9 o 12 8 -6 80.8 69.9 4.6 o 12 8 -8 195.0 127.2 65.9 o 12 10 8 29.1 9.4 5.9 o 12 10 6 37.9 24.6 7.5 o 12 10 4 24.3 14.2 3.8 o 12 10 2 16.6 1.6 3.0 o 12 10 0 12.6 3.9 2.8 o 12 10 -2 13.6 1.6 2.9 o 12 10 -4 16.6 12.0 4.7 o 12 12 6 25.3 40.8 51.1 < 12 12 4 89.3 81.2 16.7 o 12 12 2 86.3 45.7 40.2 o 12 12 0 236.7 213.6 54.3 o 12 12 -2 110.4 48.8 46.4 o 13 1 1 63.6 103.6 4.9 o 13 1 -1 85.9 111.7 6.2 o 13 3 3 26.1 32.0 3.6 o 13 3 1 231.1 230.3 4.9 o 13 3 -1 227.3 226.8 4.4 o 13 3 -3 18.0 25.0 3.2 o 13 5 5 38.1 43.2 3.7 o 13 5 3 31.4 33.9 3.4 o 13 5 1 145.2 158.1 4.9 o 13 5 -1 141.3 152.3 4.7 o 13 5 -3 32.4 32.2 2.9 o 13 5 -5 23.2 50.4 4.1 o 13 7 7 13.6 24.5 4.5 o 13 7 5 133.8 125.2 6.9 o 13 7 3 163.7 153.7 6.1 o 13 7 1 9.2 4.7 1.3 o 13 7 -1 19.0 8.3 2.4 o 13 7 -3 182.6 165.2 6.2 o 13 7 -5 116.8 129.1 5.6 o 13 7 -7 14.9 21.0 44.1 < 13 9 7 30.9 10.7 5.8 o 13 9 5 28.7 56.3 7.5 o 13 9 3 91.7 86.9 5.8 o 13 9 1 22.6 20.9 2.9 o 13 9 -1 20.2 22.6 4.8 o 13 9 -3 78.0 85.2 6.3 o 13 9 -5 36.8 50.4 5.8 o 13 11 5 42.2 21.4 10.7 o 13 11 3 26.3 8.0 8.6 o 13 11 1 93.1 94.1 8.7 o 13 11 -1 96.7 93.4 17.6 o 14 0 0 53.6 37.7 5.6 o 14 2 2 251.5 262.6 9.1 o 14 2 0 54.0 49.1 4.8 o 14 2 -2 284.0 284.5 8.6 o 14 4 4 12.8 7.2 4.2 o 14 4 2 51.2 66.1 3.4 o 14 4 0 11.8 0.8 1.9 o 14 4 -2 48.0 66.2 2.8 o 14 4 -4 18.6 10.6 2.4 o 14 6 6 73.1 109.6 11.9 o 14 6 4 49.3 48.8 4.8 o 14 6 2 243.2 223.5 6.2 o 14 6 0 16.3 23.7 2.5 o 14 6 -2 241.8 228.5 5.3 o 14 6 -4 51.9 49.5 4.6 o 14 6 -6 104.6 97.7 10.1 o 14 8 6 30.8 17.3 10.6 o 14 8 4 32.3 13.4 6.9 o 14 8 2 17.9 29.1 3.0 o 14 8 0 12.0 1.0 1.8 o 14 8 -2 34.6 28.4 6.7 o 14 8 -4 20.9 12.0 7.6 o 14 10 4 29.1 22.7 4.0 o 14 10 2 120.4 119.5 25.3 o 14 10 0 58.4 50.6 14.9 o 14 10 -2 96.3 115.0 46.8 o 15 1 1 132.6 135.7 8.8 o 15 1 -1 143.8 141.4 8.9 o 15 3 3 72.9 84.5 5.4 o 15 3 1 22.0 18.5 3.3 o 15 3 -1 25.6 19.4 3.0 o 15 3 -3 85.8 79.7 5.3 o 15 5 5 72.6 90.9 17.1 o 15 5 3 43.2 59.4 3.5 o 15 5 1 86.2 91.0 5.3 o 15 5 -1 80.3 84.6 6.1 o 15 5 -3 50.3 53.9 6.6 o 15 5 -5 84.3 100.7 8.5 o 15 7 5 31.2 20.2 6.2 o 15 7 3 27.0 14.8 7.3 o 15 7 1 61.8 62.0 7.7 o 15 7 -1 46.0 59.0 8.5 o 15 7 -3 32.8 13.9 7.4 o 15 7 -5 66.1 22.0 39.1 < 15 9 3 11.9 31.5 28.0 < 15 9 1 37.3 50.5 12.4 o 15 9 -1 35.8 62.7 3.4 o 15 9 -3 60.8 32.1 10.8 o 16 0 0 215.9 270.7 56.9 o 16 2 2 26.6 10.1 2.0 o 16 2 0 69.8 59.2 7.1 o 16 2 -2 12.6 7.4 5.3 o 16 4 4 145.7 180.4 14.1 o 16 4 2 49.9 45.2 8.6 o 16 4 0 72.2 100.3 9.4 o 16 4 -2 39.2 41.5 7.4 o 16 4 -4 162.5 190.5 55.3 o 16 6 4 25.1 26.2 11.9 o 16 6 2 6.7 0.4 1.4 o 16 6 0 25.8 19.6 6.6 o 16 6 -2 15.1 1.1 3.3 o 16 6 -4 50.7 26.2 8.9 o 16 6 -6 6.7 5.5 21.6 < 16 8 2 51.0 25.1 47.4 < 16 8 0 161.5 132.2 10.8 o 17 1 1 80.3 69.4 8.0 o 17 1 -1 38.2 70.7 26.4 < 17 3 3 184.4 120.2 86.1 o 17 3 1 21.0 0.3 3.5 o 17 3 -1 22.1 1.4 3.3 o 17 3 -3 179.3 127.0 20.4 o 17 5 1 14.3 3.4 19.0 < 17 5 -1 16.2 2.2 1.7 o