#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/60/2206092.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_2206092_Fobs loop_ _publ_author_name 'Bobev, Svilen' 'Bauer, Eric D.' _publ_section_title ; YbAg~x~Si~2{-~x} [x = 0.28(1)] with the tetragonal \a-ThSi~2~ structure type ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i96 _journal_page_last i98 _journal_volume 61 _journal_year 2005 _space_group_IT_number 141 _symmetry_space_group_name_Hall '-I 4bd 2' _symmetry_space_group_name_H-M 'I 41/a m d :2' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 4.0757 _cell_length_b 4.0757 _cell_length_c 14.1965 _exptl_crystal_F_000 429.95 _reflns_d_resolution_high 0.7061 _[local]_cod_data_source_file wm6066Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' Ag.28(1) Si1.72(1) Yb in I4(1)/amd' _shelx_refln_list_code 4 _shelx_f_calc_maximum 314.99 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-y+1/4, x+3/4, z+1/4' 'y+1/4, -x+1/4, z+3/4' '-x+1/2, y, -z+1/2' 'x, -y, -z' 'y+1/4, x+3/4, -z+1/4' '-y+1/4, -x+1/4, -z+3/4' 'x+1/2, y+1/2, z+1/2' '-x+1, -y+1/2, z+1' '-y+3/4, x+5/4, z+3/4' 'y+3/4, -x+3/4, z+5/4' '-x+1, y+1/2, -z+1' 'x+1/2, -y+1/2, -z+1/2' 'y+3/4, x+5/4, -z+3/4' '-y+3/4, -x+3/4, -z+5/4' '-x, -y, -z' 'x-1/2, y, -z-1/2' 'y-1/4, -x-3/4, -z-1/4' '-y-1/4, x-1/4, -z-3/4' 'x-1/2, -y, z-1/2' '-x, y, z' '-y-1/4, -x-3/4, z-1/4' 'y-1/4, x-1/4, z-3/4' '-x+1/2, -y+1/2, -z+1/2' 'x, y+1/2, -z' 'y+1/4, -x-1/4, -z+1/4' '-y+1/4, x+1/4, -z-1/4' 'x, -y+1/2, z' '-x+1/2, y+1/2, z+1/2' '-y+1/4, -x-1/4, z+1/4' 'y+1/4, x+1/4, z-1/4' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 0 2 0 99220.09 95278.44 1497.86 o 2 2 0 70463.66 70664.98 906.21 o 0 4 0 42376.62 42300.57 693.01 o 2 4 0 34226.57 34273.73 417.36 o 4 4 0 19714.54 19454.29 385.92 o 0 1 1 10780.52 10817.41 110.19 o 1 2 1 8330.74 8345.03 58.23 o 0 3 1 6735.69 6629.97 88.88 o 2 3 1 5353.20 5293.41 49.19 o 1 4 1 4143.39 4095.11 49.21 o 3 4 1 3185.04 3188.55 49.38 o 0 5 1 3497.00 3681.52 88.48 o 2 5 1 3024.92 2916.37 51.51 o 1 1 2 84973.35 83806.13 1095.23 o 0 2 2 3.91 29.81 17.19 o 1 3 2 43585.88 43002.11 313.82 o 3 3 2 27558.99 28256.29 352.75 o 0 4 2 23.78 51.24 16.07 o 2 4 2 10.35 44.85 12.07 o 1 5 2 19010.82 18873.86 201.55 o 0 1 3 29062.15 30050.63 239.44 o 1 2 3 20554.02 20473.97 123.45 o 0 3 3 14478.24 14361.55 141.45 o 2 3 3 11647.49 11545.28 91.91 o 1 4 3 10423.25 10114.50 92.40 o 3 4 3 7007.34 6939.90 81.73 o 0 5 3 6042.39 5948.62 102.65 o 2 5 3 5262.61 5320.44 79.79 o 0 0 4 36063.02 38295.39 1052.78 o 0 2 4 26088.43 26122.72 240.13 o 2 2 4 19767.65 19760.33 194.85 o 1 3 4 8.77 15.20 7.34 o 0 4 4 12900.98 12508.41 167.24 o 2 4 4 10863.48 10914.91 102.91 o 4 4 4 6962.12 6949.31 125.29 o 1 5 4 28.81 68.54 21.75 o 0 1 5 49728.26 49479.16 368.32 o 1 2 5 34235.93 34588.46 219.16 o 0 3 5 26378.28 26861.85 340.19 o 2 3 5 20521.23 20670.71 155.73 o 1 4 5 15957.19 15692.91 154.61 o 3 4 5 11059.32 11032.53 115.32 o 0 5 5 11762.18 11617.47 197.25 o 2 5 5 9799.09 9608.22 122.15 o 1 1 6 13028.91 13195.46 110.86 o 0 2 6 0.00 -5.94 5.94 o 1 3 6 8283.71 8332.21 69.62 o 3 3 6 6052.19 6035.18 90.83 o 0 4 6 0.02 3.76 17.08 o 2 4 6 0.01 -0.90 13.50 o 1 5 6 4626.16 4661.50 69.57 o 0 1 7 41333.90 40878.34 324.81 o 1 2 7 29851.16 30531.62 196.73 o 0 3 7 23487.94 23314.05 278.77 o 2 3 7 18543.87 18735.51 150.69 o 1 4 7 14604.77 14550.72 147.75 o 3 4 7 10223.95 10221.78 118.81 o 0 5 7 10821.34 10773.01 191.01 o 2 5 7 9056.13 8968.70 118.76 o 0 0 8 23402.43 23482.51 379.34 o 0 2 8 17772.87 17719.03 158.74 o 2 2 8 14163.66 14667.92 151.74 o 1 3 8 6.57 34.67 10.32 o 0 4 8 9825.50 9774.23 168.45 o 2 4 8 8418.34 8449.65 94.40 o 1 5 8 22.96 139.16 40.90 o 0 1 9 17246.47 16743.15 133.53 o 1 2 9 13540.60 13755.83 89.45 o 0 3 9 10177.44 10174.30 140.09 o 2 3 9 8537.94 8823.35 79.54 o 1 4 9 7851.91 7915.68 93.75 o 3 4 9 5455.26 5455.12 81.01 o 0 5 9 4707.87 4938.99 116.72 o 1 1 10 40710.47 40810.87 350.42 o 0 2 10 2.30 24.82 9.21 o 1 3 10 25730.50 26113.07 203.19 o 3 3 10 17674.83 17852.19 267.34 o 0 4 10 17.06 49.94 27.29 o 2 4 10 7.64 0.36 17.96 o 0 1 11 4919.63 4744.19 49.92 o 1 2 11 3984.51 4018.75 35.56 o 0 3 11 3566.66 3525.82 69.72 o 2 3 11 3032.98 3043.86 43.50 o 1 4 11 2436.50 2510.42 59.35 o 0 0 12 52461.43 51178.22 829.36 o 0 2 12 41302.07 41625.84 416.78 o 2 2 12 33315.20 34224.33 399.61 o 1 3 12 0.02 18.13 13.40 o 0 4 12 22801.87 23295.75 351.15 o 2 4 12 19130.66 19302.91 186.89 o 0 1 13 3437.53 3355.23 44.52 o 1 2 13 2891.44 2890.39 32.23 o 0 3 13 2634.35 2611.95 68.50 o 2 3 13 2284.42 2299.22 40.32 o 1 4 13 1877.88 1908.63 50.37 o 1 1 14 26500.42 25914.74 234.69 o 0 2 14 1.33 22.95 14.99 o 1 3 14 18117.78 18307.42 184.15 o 0 4 14 10.77 36.49 36.53 o 0 1 15 7164.92 6851.16 84.38 o 1 2 15 6141.30 6172.67 63.94 o 0 3 15 4870.04 4824.84 151.25 o 2 3 15 4269.71 4300.74 77.84 o 0 0 16 8673.80 8584.51 170.22 o 0 2 16 7415.47 7326.03 120.11 o 2 2 16 6407.73 6585.75 116.18 o 1 3 16 3.50 6.94 21.17 o 0 1 17 11370.65 11337.11 128.19 o 1 2 17 9400.72 9633.18 106.31 o 0 3 17 8141.64 7876.26 137.32 o 1 1 18 2639.09 2697.16 57.37 o 0 2 18 0.01 15.77 26.43 o 0 1 19 9034.99 8866.05 119.05 o 0 0 20 3956.40 3974.84 157.51 o