#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/30/2103081.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_2103081_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 ck502950Ksup3.hkl _[local]_cod_data_source_block 50K loop_ _refln_index_h _refln_index_k _refln_index_l _refln_intensity_meas _refln_intensity_calc _refln_intensity_sigma _refln_observed_status 2 2 0 161.1 215.4 23.9 o 2 2 -2 12010.0 12776.5 53.2 o 3 1 1 972.1 981.9 10.6 o 3 1 -1 888.9 949.6 10.6 o 3 3 3 4220.0 4593.5 51.3 o 3 3 1 1716.0 1594.1 9.8 o 3 3 -1 1779.0 1765.8 9.3 o 3 3 -3 4592.0 5042.4 68.6 o 4 0 0 1308.0 1418.5 11.2 o 4 2 2 663.1 722.8 6.3 o 4 2 0 99.0 83.6 2.5 o 4 2 -2 629.2 703.8 7.2 o 4 4 4 267.9 299.0 8.7 o 4 4 2 584.6 577.0 6.7 o 4 4 0 12680.0 12412.3 27.3 o 4 4 -2 542.3 567.4 3.9 o 4 4 -4 193.9 209.9 2.4 o 5 1 1 4666.0 4425.6 17.4 o 5 1 -1 4584.0 4403.4 13.4 o 5 3 3 466.2 458.3 7.0 o 5 3 1 903.3 871.8 5.7 o 5 3 -1 972.0 954.9 4.7 o 5 3 -3 469.8 454.2 5.0 o 5 5 5 2957.0 2998.0 8.7 o 5 5 3 1065.0 1065.0 12.3 o 5 5 1 345.9 374.5 8.9 o 5 5 -1 250.6 272.1 5.5 o 5 5 -3 970.1 1012.7 7.7 o 5 5 -5 3145.0 3038.8 48.4 o 6 0 0 742.3 656.4 12.4 o 6 2 2 2299.0 2303.3 26.8 o 6 2 0 916.0 898.7 4.2 o 6 2 -2 2554.0 2608.9 14.9 o 6 4 4 49.1 46.8 3.7 o 6 4 2 130.2 123.5 4.6 o 6 4 0 7.2 0.7 1.6 o 6 4 -2 119.5 106.8 2.5 o 6 4 -4 43.3 54.8 4.0 o 6 6 6 1131.0 1185.1 60.3 o 6 6 4 688.1 711.8 8.2 o 6 6 2 2896.0 2792.8 23.2 o 6 6 0 2760.0 2689.0 17.5 o 6 6 -2 2798.0 2646.3 19.9 o 6 6 -4 551.1 694.8 11.9 o 6 6 -6 1285.0 1329.2 72.1 o 7 1 1 1052.0 1041.5 6.4 o 7 1 -1 946.8 923.1 5.9 o 7 3 3 1746.0 1829.9 18.9 o 7 3 1 55.8 71.9 3.7 o 7 3 -1 27.5 36.5 1.6 o 7 3 -3 1650.0 1654.5 20.3 o 7 5 5 389.7 427.2 14.9 o 7 5 3 983.8 1030.8 8.0 o 7 5 1 398.1 404.6 3.8 o 7 5 -1 408.8 410.5 3.0 o 7 5 -3 942.3 1059.9 12.2 o 7 5 -5 431.5 527.2 7.1 o 7 7 7 2270.0 2231.7 75.9 o 7 7 5 129.2 133.0 2.8 o 7 7 3 84.6 125.3 8.3 o 7 7 1 362.3 367.0 1.8 o 7 7 -1 411.3 402.3 9.1 o 7 7 -3 123.2 153.6 9.8 o 7 7 -5 83.3 93.0 7.0 o 7 7 -7 2077.0 2022.4 53.7 o 8 0 0 4488.0 4569.9 26.3 o 8 2 2 13.4 11.1 4.1 o 8 2 0 132.3 157.3 5.1 o 8 2 -2 8.0 16.0 2.1 o 8 4 4 3113.0 2809.1 22.9 o 8 4 2 741.7 792.4 5.8 o 8 4 0 398.4 403.0 8.8 o 8 4 -2 715.5 765.9 8.8 o 8 4 -4 3007.0 2884.1 23.0 o 8 6 6 30.3 22.2 2.7 o 8 6 4 106.8 82.4 5.2 o 8 6 2 7.8 16.3 1.2 o 8 6 0 4.1 1.1 1.7 o 8 6 -2 17.5 22.5 4.3 o 8 6 -4 90.8 69.8 5.8 o 8 6 -6 37.2 17.8 3.5 o 8 8 8 638.4 498.9 69.3 o 8 8 6 166.9 191.8 10.4 o 8 8 4 342.6 352.1 4.5 o 8 8 2 1147.0 1155.9 10.4 o 8 8 0 1181.0 1200.7 8.0 o 8 8 -2 1155.0 1153.9 0.7 o 8 8 -4 366.8 372.8 4.7 o 8 8 -6 151.7 180.3 6.1 o 8 8 -8 613.3 547.6 51.1 o 9 1 1 739.4 736.2 11.4 o 9 1 -1 600.7 614.6 8.4 o 9 3 3 305.6 331.6 7.2 o 9 3 1 495.2 542.5 9.4 o 9 3 -1 508.3 533.1 6.3 o 9 3 -3 398.2 416.4 13.6 o 9 5 5 524.5 603.3 10.3 o 9 5 3 374.3 387.6 6.9 o 9 5 1 426.8 436.3 6.8 o 9 5 -1 480.0 465.4 7.0 o 9 5 -3 397.8 424.9 9.2 o 9 5 -5 325.4 485.4 32.1 o 9 7 7 441.7 425.0 10.7 o 9 7 5 338.1 313.3 11.8 o 9 7 3 107.7 90.5 5.9 o 9 7 1 616.2 631.7 4.4 o 9 7 -1 616.7 643.1 13.9 o 9 7 -3 93.0 61.7 5.0 o 9 7 -5 259.7 301.1 9.3 o 9 7 -7 361.3 438.7 12.6 o 9 9 9 166.5 87.3 54.9 o 9 9 7 282.4 268.3 12.9 o 9 9 5 496.1 475.6 8.2 o 9 9 3 191.2 182.3 16.6 o 9 9 1 138.5 189.5 13.8 o 9 9 -1 128.5 173.5 30.2 o 9 9 -3 202.4 198.6 6.9 o 9 9 -5 578.5 518.9 13.3 o 9 9 -7 294.9 309.8 4.3 o 9 9 -9 34.2 56.7 27.0 < 10 0 0 34.1 77.2 9.4 o 10 2 2 1585.0 1494.4 19.8 o 10 2 0 312.6 332.4 7.3 o 10 2 -2 1501.0 1435.6 16.7 o 10 4 4 158.1 162.3 3.6 o 10 4 2 306.1 329.3 8.0 o 10 4 0 53.8 53.9 3.9 o 10 4 -2 310.9 315.4 8.3 o 10 4 -4 155.3 200.5 10.0 o 10 6 6 861.1 867.6 10.3 o 10 6 4 316.5 317.4 6.5 o 10 6 2 812.5 818.8 12.6 o 10 6 0 786.4 806.6 9.0 o 10 6 -2 814.0 807.6 9.7 o 10 6 -4 352.3 335.0 12.6 o 10 6 -6 823.6 901.6 32.6 o 10 8 8 70.3 51.0 9.8 o 10 8 6 152.1 100.1 8.1 o 10 8 4 7.7 2.5 3.0 o 10 8 2 69.5 42.8 7.6 o 10 8 0 4.1 9.1 2.0 o 10 8 -2 47.7 33.8 7.0 o 10 8 -4 6.2 6.1 2.1 o 10 8 -6 128.9 93.5 4.9 o 10 8 -8 38.9 40.3 4.4 o 10 10 8 142.6 123.5 12.9 o 10 10 6 295.2 238.2 29.8 o 10 10 4 463.1 425.2 6.0 o 10 10 2 357.7 381.2 12.8 o 10 10 0 660.2 548.6 63.6 o 10 10 -2 364.0 394.1 11.0 o 10 10 -4 396.4 457.3 77.8 o 10 10 -6 235.0 199.9 17.3 o 11 1 1 97.0 89.4 6.4 o 11 1 -1 126.7 110.8 5.6 o 11 3 3 47.3 69.7 7.5 o 11 3 1 669.8 653.8 7.7 o 11 3 -1 696.4 671.3 7.1 o 11 3 -3 47.7 50.2 5.1 o 11 5 5 243.3 282.2 11.1 o 11 5 3 69.0 102.2 4.2 o 11 5 1 71.8 82.6 5.8 o 11 5 -1 109.7 117.2 7.4 o 11 5 -3 73.9 108.9 7.4 o 11 5 -5 260.2 291.6 15.6 o 11 7 7 13.9 37.9 3.2 o 11 7 5 255.4 244.2 13.1 o 11 7 3 596.3 674.1 8.4 o 11 7 1 76.0 85.1 4.7 o 11 7 -1 69.9 81.2 3.5 o 11 7 -3 510.6 645.1 13.6 o 11 7 -5 254.5 268.3 9.8 o 11 7 -7 12.8 22.2 3.6 o 11 9 7 31.6 32.1 9.4 o 11 9 5 230.6 270.0 10.8 o 11 9 3 290.6 301.5 9.4 o 11 9 1 222.7 185.0 6.9 o 11 9 -1 193.7 169.8 8.9 o 11 9 -3 239.8 286.0 12.6 o 11 9 -5 277.3 309.9 5.6 o 11 9 -7 15.5 24.2 5.9 o 11 11 3 5.8 6.9 0.2 o 11 11 1 90.8 68.9 10.9 o 11 11 -1 93.6 89.7 13.7 o 11 11 -3 -2.0 7.0 11.9 < 12 0 0 129.6 133.5 38.9 o 12 2 2 283.6 297.7 12.4 o 12 2 0 412.0 391.7 9.1 o 12 2 -2 314.9 316.3 1.9 o 12 4 4 649.3 616.1 12.4 o 12 4 2 305.7 303.5 7.2 o 12 4 0 1172.0 1113.4 10.1 o 12 4 -2 298.4 292.1 9.3 o 12 4 -4 596.5 596.2 0.9 o 12 6 6 5.9 21.5 3.7 < 12 6 4 140.1 111.6 8.7 o 12 6 2 10.4 18.4 2.8 o 12 6 0 277.1 226.9 11.1 o 12 6 -2 7.9 13.7 3.2 o 12 6 -4 132.1 96.3 9.1 o 12 6 -6 20.3 21.0 0.9 o 12 8 6 240.9 218.9 5.8 o 12 8 4 408.7 366.6 16.2 o 12 8 2 408.8 361.5 8.9 o 12 8 0 358.4 349.7 12.3 o 12 8 -2 362.4 359.8 19.2 o 12 8 -4 321.8 334.7 15.6 o 12 8 -6 206.1 214.5 10.3 o 12 8 -8 388.0 379.9 46.1 o 12 10 4 22.0 13.3 4.3 o 12 10 2 7.2 2.5 1.9 o 12 10 0 14.4 3.5 3.3 o 12 10 -2 6.0 0.5 1.9 o 13 1 1 96.3 156.8 5.8 o 13 1 -1 139.3 171.2 8.9 o 13 3 3 51.3 71.1 8.0 o 13 3 1 467.4 464.9 7.7 o 13 3 -1 428.4 430.5 9.0 o 13 3 -3 48.9 49.0 0.4 o 13 5 5 70.1 87.8 26.9 o 13 5 3 32.7 36.0 5.6 o 13 5 1 261.8 348.6 9.4 o 13 5 -1 250.3 328.4 7.3 o 13 5 -3 32.4 33.9 5.2 o 13 5 -5 52.2 110.6 10.4 o 13 7 5 218.4 220.1 11.6 o 13 7 3 398.9 363.1 10.5 o 13 7 1 23.3 27.2 7.1 o 13 7 -1 44.6 42.4 4.0 o 13 7 -3 420.7 406.0 15.9 o 13 7 -5 245.2 229.7 14.7 o 13 7 -7 67.2 54.5 35.4 < 13 9 3 202.5 186.8 63.1 o 13 9 1 36.8 58.2 6.3 o 13 9 -1 20.9 60.5 7.5 o 13 9 -3 159.6 170.4 33.4 o 14 0 0 206.9 234.3 41.7 o 14 2 2 469.0 505.2 29.9 o 14 2 0 64.3 88.7 5.5 o 14 2 -2 515.8 585.5 29.3 o 14 4 4 13.4 25.7 11.0 < 14 4 2 133.6 116.4 11.9 o 14 4 0 11.2 24.2 2.5 o 14 4 -2 130.6 116.6 8.4 o 14 4 -4 27.5 37.2 9.2 o 14 6 4 108.9 83.5 9.8 o 14 6 2 419.3 402.9 14.1 o 14 6 0 32.4 20.9 4.9 o 14 6 -2 466.0 409.6 8.3 o 14 6 -4 148.1 85.6 17.0 o 14 6 -6 210.7 180.4 45.2 o 14 8 2 44.3 43.7 0.4 o 14 8 0 7.7 1.5 3.3 o 15 1 1 259.8 214.3 17.0 o 15 1 -1 241.4 241.5 25.2 o 15 3 3 199.1 189.4 8.1 o 15 3 1 26.8 34.2 4.6 o 15 3 -1 19.8 35.2 2.4 o 15 3 -3 183.9 180.4 1.1 o 15 5 3 61.1 64.4 33.1 < 15 5 1 344.6 335.4 9.9 o 15 5 -1 321.1 316.8 1.5 o 15 5 -3 47.1 50.7 2.8 o 16 2 2 43.1 95.1 31.6 < 16 2 0 143.5 118.1 47.3 o