#------------------------------------------------------------------------------ #$Date: 2016-04-02 22:59:37 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180890 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/30/2103082.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_2103082_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' _cod_data_source_file ck5029100Ksup4.hkl _cod_data_source_block 100K loop_ _refln_index_h _refln_index_k _refln_index_l _refln_intensity_meas _refln_intensity_calc _refln_intensity_sigma _refln_observed_status 1 1 -1 222.6 190.9 7.0 o 2 0 0 13.8 4.0 1.6 o 2 2 2 12580.0 12888.6 43.0 o 2 2 0 118.1 207.4 2.8 o 2 2 -2 11610.0 11822.6 21.3 o 3 1 1 898.4 904.2 4.9 o 3 1 -1 859.3 874.1 4.0 o 3 3 3 3808.0 3973.8 20.0 o 3 3 1 1534.0 1460.8 4.4 o 3 3 -1 1642.0 1617.5 6.0 o 3 3 -3 4325.0 4378.7 6.9 o 4 0 0 1167.0 1245.0 6.7 o 4 2 2 640.6 676.2 3.8 o 4 2 0 100.7 75.4 1.9 o 4 2 -2 608.6 657.6 4.1 o 4 4 4 244.3 298.5 8.0 o 4 4 2 508.8 503.2 4.1 o 4 4 0 11740.0 11647.1 15.8 o 4 4 -2 496.0 492.7 5.6 o 4 4 -4 171.4 214.3 8.2 o 5 1 1 4210.0 4029.3 11.0 o 5 1 -1 4197.0 4014.1 9.4 o 5 3 3 447.1 447.5 4.5 o 5 3 1 799.8 778.8 3.3 o 5 3 -1 876.2 854.1 4.1 o 5 3 -3 438.3 445.5 4.0 o 5 5 5 2467.0 2569.7 48.3 o 5 5 3 953.7 945.5 10.2 o 5 5 1 290.3 312.5 4.2 o 5 5 -1 211.7 221.8 3.7 o 5 5 -3 898.1 900.0 7.5 o 5 5 -5 2722.0 2615.5 19.8 o 6 0 0 696.5 565.7 6.9 o 6 2 2 2102.0 2110.3 6.7 o 6 2 0 827.3 790.5 4.5 o 6 2 -2 2430.0 2400.4 7.5 o 6 4 4 58.1 46.5 6.2 o 6 4 2 125.0 130.8 2.2 o 6 4 0 7.6 0.3 1.1 o 6 4 -2 110.1 112.9 2.0 o 6 4 -4 41.9 53.9 2.7 o 6 6 6 1072.0 946.6 19.4 o 6 6 4 565.4 608.4 6.0 o 6 6 2 2562.0 2536.9 13.4 o 6 6 0 2352.0 2249.4 11.9 o 6 6 -2 2419.0 2390.6 11.2 o 6 6 -4 559.0 592.4 6.1 o 6 6 -6 1134.0 1081.1 8.7 o 7 1 1 978.4 1005.2 7.8 o 7 1 -1 835.7 894.8 6.3 o 7 3 3 1513.0 1580.4 8.7 o 7 3 1 56.6 66.7 2.0 o 7 3 -1 22.5 35.0 1.7 o 7 3 -3 1395.0 1428.8 7.6 o 7 5 5 339.0 387.0 5.9 o 7 5 3 849.6 878.4 4.0 o 7 5 1 358.4 369.5 4.1 o 7 5 -1 361.7 375.3 3.0 o 7 5 -3 848.7 905.4 5.8 o 7 5 -5 379.1 469.7 6.8 o 7 7 7 1629.0 1621.1 6.1 o 7 7 5 134.2 122.8 9.5 o 7 7 3 77.7 62.1 3.6 o 7 7 1 329.1 328.4 6.4 o 7 7 -1 359.5 362.8 6.5 o 7 7 -3 109.7 83.1 3.6 o 7 7 -5 99.8 89.5 3.7 o 7 7 -7 1665.0 1456.8 41.1 o 8 0 0 4146.0 4203.3 15.8 o 8 2 2 9.8 11.7 2.2 o 8 2 0 114.8 135.3 2.3 o 8 2 -2 14.6 14.7 1.9 o 8 4 4 2750.0 2680.3 11.8 o 8 4 2 593.5 655.9 5.7 o 8 4 0 345.9 321.0 4.9 o 8 4 -2 608.3 632.6 5.8 o 8 4 -4 2830.0 2752.9 13.5 o 8 6 6 33.5 42.4 3.5 o 8 6 4 98.8 73.4 3.2 o 8 6 2 9.3 8.0 1.3 o 8 6 0 9.6 1.3 1.4 o 8 6 -2 17.0 13.2 2.3 o 8 6 -4 88.8 61.7 3.5 o 8 6 -6 44.0 38.1 1.5 o 8 8 8 620.8 454.9 34.0 o 8 8 6 126.0 112.7 7.9 o 8 8 4 297.8 324.5 6.9 o 8 8 2 882.0 833.6 10.1 o 8 8 0 1065.0 1077.0 10.2 o 8 8 -2 887.2 828.7 7.8 o 8 8 -4 298.0 334.5 6.5 o 8 8 -6 111.0 101.4 6.5 o 8 8 -8 544.3 489.1 13.5 o 9 1 1 642.8 651.3 3.9 o 9 1 -1 504.1 542.8 6.1 o 9 3 3 221.3 259.2 5.6 o 9 3 1 463.2 471.3 4.6 o 9 3 -1 438.5 461.0 3.7 o 9 3 -3 315.1 329.2 5.7 o 9 5 5 390.1 431.6 6.7 o 9 5 3 339.3 327.9 5.8 o 9 5 1 385.8 382.8 3.8 o 9 5 -1 402.1 408.2 5.0 o 9 5 -3 373.2 361.4 5.7 o 9 5 -5 343.7 340.6 8.2 o 9 7 7 367.3 384.7 13.2 o 9 7 5 277.0 285.3 5.2 o 9 7 3 74.1 57.9 3.5 o 9 7 1 517.5 546.0 6.3 o 9 7 -1 529.6 559.0 5.3 o 9 7 -3 59.4 37.8 3.1 o 9 7 -5 267.6 272.3 4.8 o 9 7 -7 378.5 396.1 15.1 o 9 9 9 66.9 56.5 17.2 o 9 9 7 208.5 226.1 8.5 o 9 9 5 357.7 347.5 10.0 o 9 9 3 163.3 160.9 6.5 o 9 9 1 134.1 141.5 4.7 o 9 9 -1 119.1 128.3 4.7 o 9 9 -3 175.8 177.8 6.1 o 9 9 -5 377.8 381.9 10.7 o 9 9 -7 229.8 258.9 11.1 o 9 9 -9 30.5 34.2 8.3 o 10 0 0 18.1 26.6 2.4 o 10 2 2 1380.0 1381.2 10.0 o 10 2 0 282.4 258.9 4.5 o 10 2 -2 1317.0 1320.8 12.6 o 10 4 4 84.1 109.1 4.8 o 10 4 2 278.8 261.9 4.4 o 10 4 0 50.3 59.3 3.0 o 10 4 -2 274.0 250.5 4.5 o 10 4 -4 156.3 138.8 5.6 o 10 6 6 739.9 733.4 9.8 o 10 6 4 246.3 251.6 5.3 o 10 6 2 710.5 672.3 6.2 o 10 6 0 618.9 636.4 6.7 o 10 6 -2 689.5 662.9 7.3 o 10 6 -4 281.9 264.6 4.8 o 10 6 -6 783.9 761.6 12.1 o 10 8 8 58.6 59.0 5.7 o 10 8 6 98.2 87.4 5.6 o 10 8 4 17.5 2.2 2.4 o 10 8 2 63.4 43.2 3.0 o 10 8 0 12.9 1.0 2.1 o 10 8 -2 50.3 36.9 3.3 o 10 8 -4 10.0 4.3 1.9 o 10 8 -6 88.9 80.6 6.0 o 10 8 -8 43.5 49.4 8.3 o 10 10 10 584.8 432.6 75.1 o 10 10 8 126.2 91.3 29.6 o 10 10 6 200.0 190.1 6.1 o 10 10 4 316.1 321.2 9.4 o 10 10 2 284.2 378.1 7.8 o 10 10 0 462.6 390.0 16.5 o 10 10 -2 299.3 389.9 10.1 o 10 10 -4 322.1 342.2 9.2 o 10 10 -6 150.6 159.3 7.8 o 11 1 1 77.2 80.9 4.9 o 11 1 -1 106.5 101.1 5.0 o 11 3 3 35.1 34.4 3.9 o 11 3 1 558.7 576.7 6.8 o 11 3 -1 589.5 590.6 6.9 o 11 3 -3 23.0 21.1 2.6 o 11 5 5 202.2 262.9 8.7 o 11 5 3 81.3 73.9 3.3 o 11 5 1 84.0 101.2 4.4 o 11 5 -1 115.9 129.1 4.1 o 11 5 -3 88.1 80.1 3.5 o 11 5 -5 207.1 266.6 5.9 o 11 7 7 17.9 13.6 4.2 o 11 7 5 208.1 188.2 7.0 o 11 7 3 447.4 502.8 6.8 o 11 7 1 73.7 99.0 5.0 o 11 7 -1 65.6 90.2 4.1 o 11 7 -3 419.4 478.8 6.4 o 11 7 -5 225.5 207.1 4.6 o 11 7 -7 21.8 4.3 5.1 o 11 9 9 78.3 59.1 7.1 o 11 9 7 22.0 26.4 3.5 o 11 9 5 222.7 230.3 6.9 o 11 9 3 244.5 222.0 5.3 o 11 9 1 169.1 147.3 5.4 o 11 9 -1 155.8 133.8 6.2 o 11 9 -3 207.7 212.5 7.4 o 11 9 -5 249.6 265.6 6.0 o 11 9 -7 21.2 21.8 4.9 o 11 11 9 79.6 45.1 3.2 o 11 11 7 121.4 152.5 3.0 o 11 11 5 156.8 112.4 6.6 o 11 11 3 25.0 23.0 6.8 o 11 11 1 44.0 51.3 4.9 o 11 11 -1 66.2 60.5 6.2 o 11 11 -3 15.2 21.1 4.0 o 12 0 0 105.7 91.6 8.3 o 12 2 2 205.2 201.9 5.2 o 12 2 0 327.4 301.5 5.5 o 12 2 -2 204.0 219.3 4.4 o 12 4 4 531.6 509.8 11.8 o 12 4 2 258.4 234.5 5.6 o 12 4 0 922.5 863.9 8.5 o 12 4 -2 243.9 224.9 5.6 o 12 4 -4 466.9 493.4 8.6 o 12 6 6 18.3 34.2 4.2 o 12 6 4 113.4 67.2 5.4 o 12 6 2 15.3 10.6 2.2 o 12 6 0 233.6 213.1 4.8 o 12 6 -2 14.0 5.4 2.2 o 12 6 -4 94.2 56.8 4.6 o 12 6 -6 18.9 34.4 3.4 o 12 8 8 316.2 306.3 6.9 o 12 8 6 157.9 155.2 7.9 o 12 8 4 312.4 306.6 8.0 o 12 8 2 268.3 250.2 6.5 o 12 8 0 299.1 267.7 7.1 o 12 8 -2 267.0 245.7 5.9 o 12 8 -4 321.4 291.9 9.0 o 12 8 -6 142.4 150.7 5.4 o 12 10 8 30.0 11.2 7.5 o 12 10 6 37.8 47.8 7.3 o 12 10 4 23.8 10.8 2.7 o 12 10 2 11.6 1.3 2.9 o 12 10 0 10.8 0.4 1.9 o 12 10 -2 12.0 0.2 3.4 o 12 10 -4 27.4 8.5 6.0 o 12 12 6 36.5 104.9 49.5 < 12 12 4 165.1 153.9 15.2 o 12 12 2 180.9 134.8 50.8 o 12 12 0 232.4 326.9 54.3 o 12 12 -2 172.5 139.1 52.9 o 13 1 1 94.1 120.7 5.1 o 13 1 -1 120.0 131.3 6.7 o 13 3 3 42.5 57.8 5.9 o 13 3 1 368.6 373.8 7.1 o 13 3 -1 347.6 356.8 5.6 o 13 3 -3 27.6 40.0 3.6 o 13 5 5 39.0 72.3 6.5 o 13 5 3 40.7 30.7 3.7 o 13 5 1 230.5 246.1 7.3 o 13 5 -1 205.8 232.0 5.0 o 13 5 -3 34.2 29.0 2.8 o 13 5 -5 65.0 88.9 5.7 o 13 7 7 19.1 46.8 5.8 o 13 7 5 195.4 178.5 7.4 o 13 7 3 288.1 302.3 8.0 o 13 7 1 13.2 11.7 1.9 o 13 7 -1 20.9 22.8 3.3 o 13 7 -3 336.4 331.1 8.3 o 13 7 -5 165.6 182.4 5.3 o 13 7 -7 69.3 36.6 55.4 < 13 9 7 19.3 9.5 4.1 o 13 9 5 39.3 87.8 8.5 o 13 9 3 146.1 135.8 9.2 o 13 9 1 30.0 32.9 3.8 o 13 9 -1 37.9 34.4 5.3 o 13 9 -3 105.4 125.1 5.6 o 13 9 -5 64.8 77.9 11.2 o 13 11 5 37.1 40.9 16.9 o 13 11 3 26.0 5.7 1.8 o 13 11 1 109.2 163.3 22.1 o 13 11 -1 122.3 165.7 38.5 o 14 0 0 120.0 114.8 7.2 o 14 2 2 403.5 442.2 11.3 o 14 2 0 60.8 50.6 3.5 o 14 2 -2 427.9 496.1 7.9 o 14 4 4 29.2 15.2 3.7 o 14 4 2 81.7 85.3 4.8 o 14 4 0 17.3 5.8 2.7 o 14 4 -2 85.3 86.3 4.9 o 14 4 -4 21.8 21.0 2.0 o 14 6 6 171.4 164.1 15.8 o 14 6 4 96.2 59.3 7.6 o 14 6 2 351.5 335.8 8.5 o 14 6 0 34.4 33.6 4.1 o 14 6 -2 381.8 345.8 7.0 o 14 6 -4 95.9 59.9 6.5 o 14 6 -6 133.5 135.4 8.6 o 14 8 6 34.3 26.6 1.9 o 14 8 4 28.2 35.8 2.9 o 14 8 2 35.2 23.1 4.5 o 14 8 0 16.8 0.4 2.6 o 14 8 -2 35.8 22.5 6.5 o 14 8 -4 21.9 31.2 4.0 o 14 10 4 74.4 71.6 26.7 o 14 10 2 266.9 209.5 24.5 o 14 10 0 145.1 98.9 46.2 o 14 10 -2 163.0 200.1 54.9 o 15 1 1 202.3 177.5 10.5 o 15 1 -1 224.2 198.1 10.2 o 15 3 3 153.4 142.9 6.7 o 15 3 1 28.9 21.1 3.8 o 15 3 -1 20.8 22.1 3.5 o 15 3 -3 142.4 128.7 7.0 o 15 5 5 117.9 108.1 8.9 o 15 5 3 41.8 61.9 4.5 o 15 5 1 200.6 202.8 10.6 o 15 5 -1 199.4 190.4 8.9 o 15 5 -3 41.5 52.4 6.4 o 15 5 -5 119.5 131.8 6.8 o 15 7 5 21.2 37.7 4.1 o 15 7 3 35.6 27.2 8.0 o 15 7 1 85.7 104.4 6.8 o 15 7 -1 78.4 95.4 14.7 o 15 7 -3 18.7 22.7 8.3 o 15 7 -5 10.5 41.5 27.2 < 15 9 3 67.2 63.9 54.4 < 15 9 1 45.6 67.4 16.4 o 15 9 -1 54.6 93.6 14.9 o 15 9 -3 70.1 63.4 1.7 o 16 0 0 461.8 525.3 86.3 o 16 2 2 63.6 49.7 13.7 o 16 2 0 105.1 80.8 8.5 o 16 2 -2 75.9 42.0 12.2 o 16 4 4 282.4 341.5 25.1 o 16 4 2 60.1 74.8 7.2 o 16 4 0 99.3 118.4 8.9 o 16 4 -2 77.6 68.4 7.8 o 16 4 -4 341.0 362.3 5.1 o 16 6 4 40.2 32.2 14.8 o 16 6 2 26.7 1.1 8.9 o 16 6 0 18.0 21.5 3.1 o 16 6 -2 19.0 2.5 8.3 o 16 6 -4 44.8 31.6 4.3 o 16 8 2 86.7 33.6 50.5 < 16 8 0 170.3 224.7 28.9 o 17 1 1 206.2 104.8 3.0 o 17 1 -1 104.7 108.6 4.3 o 17 3 1 9.4 4.0 0.8 o 17 3 -1 11.3 7.7 2.4 o 17 3 -3 364.0 287.9 12.4 o 17 5 1 27.0 12.7 37.8 < 17 5 -1 31.0 10.7 48.2 <