#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/30/2103080.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_2103080_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 ck502915Ksup2.hkl _[local]_cod_data_source_block 15K loop_ _refln_index_h _refln_index_k _refln_index_l _refln_intensity_meas _refln_intensity_calc _refln_intensity_sigma _refln_observed_status 2 2 0 165.9 276.3 9.4 o 2 2 -2 12360.0 13503.2 228.4 o 3 1 1 996.8 1003.1 5.0 o 3 1 -1 885.9 975.8 9.8 o 3 3 3 4497.0 4622.2 18.1 o 3 3 1 1786.0 1687.8 8.3 o 3 3 -1 1886.0 1864.9 6.3 o 3 3 -3 4838.0 5087.6 21.8 o 4 0 0 1254.0 1411.5 13.9 o 4 2 2 653.3 737.9 5.9 o 4 2 0 105.1 81.8 2.0 o 4 2 -2 621.8 717.6 7.7 o 4 4 4 277.5 285.0 6.7 o 4 4 2 631.4 627.5 4.8 o 4 4 0 13190.0 12913.7 24.3 o 4 4 -2 618.6 612.7 7.2 o 4 4 -4 193.0 206.6 1.3 o 5 1 1 4816.0 4643.9 9.7 o 5 1 -1 4778.0 4625.7 15.6 o 5 3 3 458.0 485.3 5.2 o 5 3 1 943.0 940.3 5.7 o 5 3 -1 1002.0 1033.0 5.9 o 5 3 -3 466.6 470.7 6.3 o 5 5 5 3342.0 3484.5 42.3 o 5 5 3 1109.0 1186.8 7.8 o 5 5 1 349.7 354.5 5.9 o 5 5 -1 261.2 251.1 5.5 o 5 5 -3 1048.0 1135.0 10.4 o 5 5 -5 3482.0 3553.9 29.2 o 6 0 0 835.2 705.4 6.1 o 6 2 2 2346.0 2485.7 12.3 o 6 2 0 967.6 923.6 5.4 o 6 2 -2 2684.0 2814.6 8.9 o 6 4 4 57.4 58.8 3.3 o 6 4 2 137.6 159.0 2.5 o 6 4 0 3.1 2.7 0.5 o 6 4 -2 114.3 136.7 2.6 o 6 4 -4 50.5 70.2 4.3 o 6 6 6 1222.0 1220.6 27.8 o 6 6 4 739.3 775.3 7.9 o 6 6 2 3042.0 3068.5 18.0 o 6 6 0 2963.0 2883.4 32.6 o 6 6 -2 2895.0 2885.3 20.4 o 6 6 -4 750.8 765.7 9.9 o 6 6 -6 1369.0 1376.9 13.3 o 7 1 1 1131.0 1171.6 9.8 o 7 1 -1 984.3 1040.6 9.1 o 7 3 3 1982.0 2001.1 13.5 o 7 3 1 48.5 75.0 1.9 o 7 3 -1 26.2 38.6 2.0 o 7 3 -3 1789.0 1810.3 7.0 o 7 5 5 424.0 441.8 8.0 o 7 5 3 1033.0 996.8 7.6 o 7 5 1 418.9 460.6 5.8 o 7 5 -1 435.3 472.7 4.6 o 7 5 -3 1044.0 1029.6 6.8 o 7 5 -5 512.9 544.5 9.6 o 7 7 7 2547.0 2360.0 27.1 o 7 7 5 145.0 156.7 6.0 o 7 7 3 115.0 132.2 4.9 o 7 7 1 387.5 401.5 6.6 o 7 7 -1 418.1 433.7 8.8 o 7 7 -3 150.4 160.4 4.9 o 7 7 -5 106.3 107.9 3.7 o 7 7 -7 2270.0 2129.5 27.8 o 8 0 0 4753.0 4820.7 19.0 o 8 2 2 8.5 6.1 2.0 o 8 2 0 156.5 169.0 3.4 o 8 2 -2 4.7 12.6 1.4 o 8 4 4 3251.0 3256.1 11.9 o 8 4 2 797.8 887.7 7.2 o 8 4 0 413.8 394.7 4.3 o 8 4 -2 807.6 857.3 6.6 o 8 4 -4 3408.0 3339.1 4.7 o 8 6 6 46.6 53.9 3.0 o 8 6 4 106.6 82.7 2.9 o 8 6 2 15.7 23.9 1.8 o 8 6 0 3.9 4.8 1.3 o 8 6 -2 24.1 29.7 2.3 o 8 6 -4 97.5 68.8 4.0 o 8 6 -6 28.0 41.6 3.1 o 8 8 8 593.5 588.9 72.8 o 8 8 6 188.2 159.4 8.9 o 8 8 4 394.2 405.2 12.0 o 8 8 2 1340.0 1179.3 14.4 o 8 8 0 1247.0 1169.7 14.8 o 8 8 -2 1318.0 1172.9 11.3 o 8 8 -4 426.8 433.1 5.5 o 8 8 -6 140.3 144.2 3.1 o 8 8 -8 694.6 625.5 26.3 o 9 1 1 791.0 791.3 8.6 o 9 1 -1 646.7 659.0 5.7 o 9 3 3 360.4 331.8 8.3 o 9 3 1 522.7 553.3 6.5 o 9 3 -1 504.2 545.6 4.8 o 9 3 -3 442.3 428.1 6.1 o 9 5 5 619.5 598.6 12.5 o 9 5 3 405.4 450.6 6.3 o 9 5 1 469.9 437.3 6.8 o 9 5 -1 473.5 470.4 6.0 o 9 5 -3 462.7 496.5 4.6 o 9 5 -5 486.8 482.5 5.3 o 9 7 7 516.8 480.3 11.8 o 9 7 5 392.4 399.2 5.8 o 9 7 3 130.5 117.7 5.7 o 9 7 1 647.1 728.4 8.2 o 9 7 -1 646.2 741.6 7.4 o 9 7 -3 91.6 84.2 3.5 o 9 7 -5 372.1 383.8 6.8 o 9 7 -7 512.8 493.9 9.7 o 9 9 9 68.3 125.0 46.2 < 9 9 7 282.6 305.7 9.3 o 9 9 5 595.0 634.8 11.1 o 9 9 3 201.3 206.0 8.5 o 9 9 1 153.3 154.1 9.4 o 9 9 -1 153.3 139.8 8.1 o 9 9 -3 197.9 227.4 6.2 o 9 9 -5 644.6 690.1 8.9 o 9 9 -7 320.0 356.3 12.7 o 9 9 -9 60.3 88.8 21.0 o 10 0 0 68.2 47.1 6.8 o 10 2 2 1666.0 1707.7 11.9 o 10 2 0 328.7 317.0 4.0 o 10 2 -2 1583.0 1627.1 12.2 o 10 4 4 207.6 200.9 5.6 o 10 4 2 342.6 356.8 5.1 o 10 4 0 58.4 73.2 3.5 o 10 4 -2 319.1 342.0 5.1 o 10 4 -4 233.6 246.2 8.8 o 10 6 6 920.0 942.3 14.2 o 10 6 4 370.3 356.5 8.1 o 10 6 2 890.4 905.6 7.8 o 10 6 0 882.2 819.4 8.7 o 10 6 -2 880.8 882.5 7.9 o 10 6 -4 399.1 379.0 6.4 o 10 6 -6 954.1 978.1 9.7 o 10 8 8 73.3 52.3 10.5 o 10 8 6 136.9 116.0 3.9 o 10 8 4 4.0 11.4 1.3 o 10 8 2 56.7 57.8 4.4 o 10 8 0 6.3 9.3 2.6 o 10 8 -2 47.5 49.8 2.9 o 10 8 -4 6.5 17.5 1.6 o 10 8 -6 153.6 110.2 4.7 o 10 8 -8 70.5 44.1 6.3 o 10 10 8 155.4 133.2 12.4 o 10 10 6 338.3 289.0 25.6 o 10 10 4 513.6 482.3 14.6 o 10 10 2 347.1 354.1 8.0 o 10 10 0 891.6 768.4 12.8 o 10 10 -2 361.3 381.8 6.0 o 10 10 -4 589.3 519.7 9.2 o 10 10 -6 261.9 250.8 14.7 o 10 10 -8 140.6 150.0 40.0 o 11 1 1 117.5 128.4 5.8 o 11 1 -1 136.3 156.4 5.6 o 11 3 3 62.0 70.9 1.7 o 11 3 1 723.4 740.1 7.6 o 11 3 -1 770.8 754.0 6.4 o 11 3 -3 29.0 48.4 2.2 o 11 5 5 298.6 306.2 7.0 o 11 5 3 95.8 90.1 3.5 o 11 5 1 64.1 79.8 3.3 o 11 5 -1 90.8 121.3 5.2 o 11 5 -3 104.4 102.6 4.4 o 11 5 -5 303.9 319.6 2.2 o 11 7 7 23.3 47.1 5.1 o 11 7 5 253.4 234.9 7.9 o 11 7 3 652.9 661.9 8.8 o 11 7 1 80.5 126.1 3.5 o 11 7 -1 69.3 118.8 4.4 o 11 7 -3 617.8 621.4 10.4 o 11 7 -5 310.2 256.8 7.2 o 11 7 -7 13.1 31.6 3.6 o 11 9 9 130.2 111.3 39.1 o 11 9 7 34.4 40.7 4.0 o 11 9 5 288.0 285.3 8.0 o 11 9 3 327.4 300.7 8.7 o 11 9 1 256.1 251.7 7.0 o 11 9 -1 254.1 235.7 7.4 o 11 9 -3 302.4 286.0 5.9 o 11 9 -5 323.7 334.5 8.0 o 11 9 -7 25.9 29.1 3.7 o 11 11 7 250.2 237.0 61.3 o 11 11 5 284.7 173.5 48.5 o 11 11 3 24.7 29.7 3.3 o 11 11 1 68.9 72.1 4.0 o 11 11 -1 80.3 86.8 2.6 o 11 11 -3 11.9 22.0 5.7 o 11 11 -5 242.0 175.2 54.4 o 11 11 -7 111.8 203.8 34.7 o 12 0 0 124.5 85.2 4.2 o 12 2 2 353.1 365.2 7.8 o 12 2 0 449.6 433.6 3.6 o 12 2 -2 357.9 384.3 3.1 o 12 4 4 704.1 775.2 10.1 o 12 4 2 356.8 295.6 6.5 o 12 4 0 1309.0 1145.6 9.8 o 12 4 -2 335.9 278.8 5.0 o 12 4 -4 657.4 759.8 10.0 o 12 6 6 17.8 20.3 3.2 o 12 6 4 157.9 127.1 6.8 o 12 6 2 16.3 18.1 2.5 o 12 6 0 290.0 313.3 6.3 o 12 6 -2 11.1 13.2 1.7 o 12 6 -4 147.5 110.1 6.9 o 12 6 -6 19.6 25.4 2.8 o 12 8 8 518.4 456.4 56.3 o 12 8 6 257.2 231.8 9.3 o 12 8 4 446.5 423.0 13.0 o 12 8 2 415.4 422.4 8.7 o 12 8 0 396.1 413.2 11.0 o 12 8 -2 447.4 416.8 11.3 o 12 8 -4 372.6 372.7 8.4 o 12 8 -6 242.3 223.7 7.8 o 12 8 -8 498.7 425.5 7.0 o 12 10 8 33.2 25.6 49.4 < 12 10 6 89.7 43.2 7.3 o 12 10 4 12.4 1.8 2.1 o 12 10 2 4.9 3.2 1.8 o 12 10 0 14.2 0.5 1.6 o 12 10 -2 4.3 2.0 2.0 o 12 10 -4 12.7 3.2 2.7 o 12 10 -6 42.3 40.5 12.3 o 12 10 -8 13.6 19.3 30.8 < 12 12 6 182.6 204.7 39.4 o 12 12 4 295.7 272.3 55.3 o 12 12 2 312.1 290.7 14.6 o 12 12 0 429.2 459.9 17.9 o 12 12 -2 391.8 296.1 70.7 o 12 12 -4 235.7 290.2 53.7 o 12 12 -6 94.1 188.3 27.9 o 13 1 1 170.7 156.4 6.3 o 13 1 -1 146.3 171.7 5.8 o 13 3 3 71.9 96.7 5.8 o 13 3 1 548.0 564.3 7.8 o 13 3 -1 505.6 527.0 6.2 o 13 3 -3 48.8 69.7 2.8 o 13 5 5 56.5 106.8 13.8 o 13 5 3 34.8 33.0 3.5 o 13 5 1 308.3 341.5 6.3 o 13 5 -1 315.1 327.3 7.0 o 13 5 -3 32.2 28.0 2.8 o 13 5 -5 96.1 130.6 10.9 o 13 7 7 15.1 69.5 35.0 < 13 7 5 258.8 245.6 11.7 o 13 7 3 473.7 384.6 10.1 o 13 7 1 46.7 51.8 4.3 o 13 7 -1 66.1 74.3 4.7 o 13 7 -3 518.8 440.2 12.4 o 13 7 -5 265.9 255.6 6.2 o 13 7 -7 55.7 53.7 32.7 < 13 9 9 35.1 72.1 45.0 < 13 9 7 4.3 11.8 5.8 < 13 9 5 85.1 103.1 7.3 o 13 9 3 198.5 242.2 10.6 o 13 9 1 62.7 62.1 3.7 o 13 9 -1 59.4 69.3 5.4 o 13 9 -3 204.2 225.8 10.5 o 13 9 -5 45.4 87.2 6.3 o 13 9 -7 10.2 11.9 5.6 < 13 9 -9 33.7 87.1 34.4 < 13 11 7 162.0 139.4 63.2 o 13 11 5 74.8 74.0 10.0 o 13 11 3 19.3 9.4 5.4 o 13 11 1 191.0 197.0 2.2 o 13 11 -1 131.3 188.8 3.8 o 13 11 -3 21.7 4.3 6.5 o 13 11 -5 74.1 67.2 17.1 o 13 11 -7 109.2 153.6 43.0 o 13 13 5 24.9 29.5 38.6 < 13 13 3 19.6 5.0 13.0 < 13 13 1 77.9 54.2 11.2 o 13 13 -1 35.2 53.0 1.4 o 13 13 -3 31.6 11.9 40.9 < 13 13 -5 8.3 28.1 34.7 < 14 0 0 280.7 187.2 8.9 o 14 2 2 532.3 570.0 6.6 o 14 2 0 63.9 42.1 5.3 o 14 2 -2 663.6 668.7 11.8 o 14 4 4 15.0 52.2 5.8 o 14 4 2 110.4 115.1 4.6 o 14 4 0 18.1 12.7 2.2 o 14 4 -2 107.2 116.3 5.8 o 14 4 -4 42.8 67.5 6.4 o 14 6 6 235.6 314.3 58.2 o 14 6 4 145.5 100.3 7.2 o 14 6 2 512.0 424.7 9.1 o 14 6 0 22.8 35.4 3.3 o 14 6 -2 515.7 433.2 14.1 o 14 6 -4 167.1 100.9 12.7 o 14 6 -6 227.8 256.2 52.1 o 14 8 8 32.3 38.1 40.0 < 14 8 6 23.8 35.5 9.7 o 14 8 4 29.8 29.9 6.5 o 14 8 2 41.0 38.7 5.2 o 14 8 0 4.4 6.2 2.5 < 14 8 -2 29.5 41.7 5.8 o 14 8 -4 48.4 28.8 11.4 o 14 8 -6 55.8 37.0 5.6 o 14 8 -8 30.1 37.7 44.3 < 14 10 8 68.8 79.3 46.2 < 14 10 6 159.0 182.7 32.5 o 14 10 4 202.8 146.6 18.3 o 14 10 2 359.6 325.1 35.3 o 14 10 0 265.6 234.5 11.2 o 14 10 -2 345.8 302.0 12.6 o 14 10 -4 160.4 160.6 14.3 o 14 10 -6 192.6 230.2 8.3 o 14 10 -8 114.7 82.6 43.7 o 14 12 6 16.5 7.5 25.2 < 14 12 4 28.3 1.0 8.3 o 14 12 2 13.5 4.7 3.4 o 14 12 0 5.1 1.5 4.0 < 14 12 -2 8.3 1.9 6.6 < 14 12 -4 33.7 2.0 9.6 o 15 1 1 254.0 248.3 11.0 o 15 1 -1 299.5 280.6 4.3 o 15 3 3 223.3 205.0 15.4 o 15 3 1 21.7 35.2 3.6 o 15 3 -1 20.5 37.3 3.0 o 15 3 -3 261.4 184.5 13.9 o 15 5 5 97.6 101.1 14.1 o 15 5 3 37.9 70.9 8.4 o 15 5 1 413.9 432.0 9.8 o 15 5 -1 386.4 411.0 6.7 o 15 5 -3 26.5 50.2 3.6 o 15 5 -5 142.0 133.5 40.6 o 15 7 7 182.3 207.1 64.8 o 15 7 5 50.4 49.0 5.1 o 15 7 3 32.5 27.9 10.5 o 15 7 1 122.5 198.8 11.7 o 15 7 -1 134.8 173.0 9.9 o 15 7 -3 40.9 23.4 15.5 o 15 7 -5 39.2 59.4 2.3 o 15 7 -7 98.3 208.5 31.8 o 15 9 7 50.8 75.0 50.5 < 15 9 5 142.2 170.9 4.8 o 15 9 3 137.4 152.0 8.7 o 15 9 1 66.3 61.4 6.1 o 15 9 -1 134.4 105.5 23.5 o 15 9 -3 128.9 151.6 5.0 o 15 9 -5 116.5 170.4 14.2 o 15 9 -7 97.5 73.0 18.7 o 15 11 5 19.2 54.6 28.0 < 15 11 3 41.9 62.5 9.5 o 15 11 1 64.7 54.7 18.3 o 15 11 -1 72.2 62.6 10.2 o 15 11 -3 49.2 62.7 11.8 o 15 11 -5 13.3 32.4 1.6 o 16 0 0 705.8 825.8 83.4 o 16 2 2 99.8 91.6 9.6 o 16 2 0 155.6 85.8 10.9 o 16 2 -2 113.0 82.6 36.9 o 16 4 4 496.5 555.0 8.3 o 16 4 2 100.4 111.2 3.8 o 16 4 0 116.2 105.4 4.8 o 16 4 -2 127.9 96.7 3.0 o 16 4 -4 502.2 592.8 62.1 o 16 6 6 11.8 1.0 3.4 o 16 6 4 52.2 43.0 9.5 o 16 6 2 12.0 2.6 2.0 o 16 6 0 11.6 11.2 7.7 < 16 6 -2 18.2 4.9 1.1 o 16 6 -4 57.8 44.1 7.6 o 16 6 -6 14.1 3.1 41.9 < 16 8 6 68.8 28.2 12.2 o 16 8 4 171.4 174.5 18.3 o 16 8 2 64.9 61.2 10.2 o 16 8 0 381.6 311.0 36.8 o 16 8 -2 52.8 63.5 10.2 o 16 8 -4 163.0 188.1 11.6 o 16 8 -6 22.4 24.3 0.2 o 16 10 4 9.0 11.8 29.4 < 16 10 2 69.4 30.4 7.3 o 16 10 0 21.4 0.8 4.7 o 16 10 -2 34.4 28.3 12.4 o 16 10 -4 29.9 13.9 37.4 < 17 1 1 176.3 145.2 45.9 o 17 1 -1 141.2 145.6 42.7 o 17 3 3 586.6 478.4 22.2 o 17 3 1 32.5 21.1 6.0 o 17 3 -1 37.1 29.9 8.3 o 17 3 -3 680.6 516.1 78.5 o 17 5 5 82.2 66.8 16.3 o 17 5 3 191.9 186.3 13.4 o 17 5 1 20.3 11.8 7.6 o 17 5 -1 14.2 7.8 9.6 < 17 5 -3 182.0 174.3 45.9 o 17 5 -5 42.9 50.9 45.4 < 17 7 5 7.1 5.0 2.7 o 17 7 3 62.8 38.6 13.1 o 17 7 1 371.9 330.6 11.9 o 17 7 -1 286.6 279.5 1.1 o 17 7 -3 27.8 27.0 3.9 o 17 7 -5 10.1 9.2 10.3 < 17 9 3 6.2 5.1 33.1 < 17 9 1 125.7 104.8 63.4 < 18 2 2 506.0 551.9 61.3 o 18 2 0 10.2 0.5 2.6 o 18 2 -2 498.1 495.6 67.2 o 18 4 4 12.4 15.6 24.8 < 18 4 2 30.7 9.2 11.5 o 18 4 0 1.0 0.7 3.3 < 18 4 -2 14.4 9.2 8.5 < 18 4 -4 46.3 20.3 39.4 < 18 6 2 199.7 232.9 8.4 o 18 6 0 9.0 28.9 3.0 o 18 6 -2 290.3 279.3 1.5 o 19 3 1 70.2 91.8 51.5 < 19 3 -1 72.6 82.8 12.7 o