#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2207920.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_2207920_Fobs loop_ _publ_author_name 'Xia, Sheng-Qing' 'Bobev, Svilen' _publ_section_title ; YbMn~6~Sn~6~ ; _journal_coeditor_code WM6118 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i7 _journal_page_last i9 _journal_volume 62 _journal_year 2006 _space_group_IT_number 191 _symmetry_space_group_name_Hall '-P 6 2' _symmetry_space_group_name_H-M 'P 6/m m m' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 5.5117 _cell_length_b 5.5117 _cell_length_c 8.9889 _exptl_crystal_F_000 520.00 _reflns_d_resolution_high 0.7817 _[local]_cod_data_source_file wm6118Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' sad in P6/mmm' _shelx_refln_list_code 4 _shelx_f_calc_maximum 297.79 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' '-x, -y, z' 'y, -x+y, z' 'x-y, x, z' 'y, x, -z' 'x-y, -y, -z' '-x, -x+y, -z' '-y, -x, -z' '-x+y, y, -z' 'x, x-y, -z' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' 'x, y, -z' '-y, x-y, -z' '-x+y, -x, -z' '-y, -x, z' '-x+y, y, z' 'x, x-y, z' 'y, x, z' 'x-y, -y, z' '-x, -x+y, z' 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 1 0 402.31 363.16 11.73 o -1 2 0 67535.28 67526.75 560.80 o 0 2 0 28597.41 28240.93 214.57 o -1 3 0 391.62 494.22 20.29 o 0 3 0 43314.06 42050.23 357.32 o -2 4 0 88676.45 89365.14 811.98 o -1 4 0 334.23 346.04 27.27 o 0 4 0 12567.82 12313.36 234.21 o -2 5 0 298.52 342.74 30.73 o -1 5 0 23427.32 23053.26 290.50 o 0 5 0 261.30 322.69 108.84 o -3 6 0 18364.15 18648.85 327.14 o -2 6 0 7301.60 7320.72 196.50 o -1 6 0 213.15 193.09 27.94 o 0 6 0 31229.31 29954.13 582.11 o -3 7 0 189.49 238.64 32.00 o 0 0 1 0.14 -2.74 3.96 o 0 1 1 0.11 -3.87 3.87 o -1 2 1 0.21 6.82 5.56 o 0 2 1 0.18 1.60 5.51 o -1 3 1 0.12 -3.68 3.68 o 0 3 1 0.35 0.67 6.16 o -2 4 1 0.49 10.87 10.59 o -1 4 1 0.09 8.39 7.16 o 0 4 1 0.10 20.80 10.94 o -2 5 1 0.07 -6.74 8.90 o -1 5 1 0.45 17.58 10.71 o 0 5 1 0.06 9.23 17.51 o -3 6 1 0.46 -13.00 16.54 o -2 6 1 0.06 -1.64 13.16 o -1 6 1 0.06 -0.28 12.85 o 0 6 1 0.50 11.25 18.32 o -3 7 1 0.07 8.72 20.95 o 0 0 2 4477.21 4406.40 85.57 o 0 1 2 448.40 521.44 12.74 o -1 2 2 43836.05 43643.11 224.01 o 0 2 2 25106.99 25642.56 144.49 o -1 3 2 254.69 357.57 13.13 o 0 3 2 28094.43 27953.18 187.78 o -2 4 2 2488.46 2534.92 45.55 o -1 4 2 183.94 238.03 13.37 o 0 4 2 10805.88 10419.08 121.33 o -2 5 2 149.52 174.25 17.78 o -1 5 2 14926.69 14663.17 139.89 o 0 5 2 124.22 167.35 26.26 o -3 6 2 11671.61 12370.32 202.07 o -2 6 2 6201.43 6390.97 99.85 o -1 6 2 98.46 129.86 26.90 o 0 6 2 1049.81 1337.94 114.24 o 0 0 3 292.25 128.68 95.21 o 0 1 3 270.04 133.28 16.66 o -1 2 3 239.72 173.00 13.91 o 0 2 3 203.65 164.72 11.99 o -1 3 3 174.00 175.77 8.93 o 0 3 3 166.65 162.30 14.74 o -2 4 3 137.89 165.58 13.85 o -1 4 3 124.11 145.71 11.02 o 0 4 3 102.87 119.22 16.22 o -2 5 3 93.57 152.70 15.13 o -1 5 3 98.84 128.24 14.80 o 0 5 3 73.28 130.93 23.69 o -3 6 3 80.64 139.77 27.37 o -2 6 3 63.02 104.39 13.03 o -1 6 3 59.03 107.77 15.33 o 0 0 4 74721.02 76006.45 897.82 o 0 1 4 8546.24 8728.62 69.58 o -1 2 4 13250.22 13496.42 95.78 o 0 2 4 1624.61 1582.11 27.28 o -1 3 4 5440.25 5440.85 45.63 o 0 3 4 9365.74 9151.28 101.57 o -2 4 4 33387.87 33122.89 232.27 o -1 4 4 3845.24 3728.64 48.40 o 0 4 4 695.40 855.25 45.33 o -2 5 4 2855.15 2854.22 54.17 o -1 5 4 5415.60 5283.31 75.63 o 0 5 4 2234.75 2239.15 92.00 o -3 6 4 4291.03 4493.92 132.08 o -2 6 4 384.13 517.46 37.86 o -1 6 4 1856.60 1923.56 54.87 o 0 0 5 3.83 -4.11 13.91 o 0 1 5 8.64 -6.30 6.30 o -1 2 5 4.60 6.12 6.78 o 0 2 5 5.10 12.55 7.36 o -1 3 5 6.27 7.94 6.13 o 0 3 5 2.85 1.65 10.55 o -2 4 5 1.39 6.18 10.44 o -1 4 5 4.93 7.74 8.21 o 0 4 5 3.26 26.71 12.53 o -2 5 5 4.09 4.05 10.37 o -1 5 5 1.33 20.30 11.14 o 0 5 5 3.56 -1.34 21.03 o -3 6 5 0.98 -13.46 17.52 o -2 6 5 2.54 20.81 12.39 o 0 0 6 20472.02 21109.66 372.56 o 0 1 6 5012.99 4982.68 57.25 o -1 2 6 55627.26 57732.64 314.86 o 0 2 6 1228.56 1270.89 33.32 o -1 3 6 3649.03 3610.82 43.69 o 0 3 6 40888.25 40853.42 298.98 o -2 4 6 11875.92 11707.22 141.45 o -1 4 6 2814.04 2763.30 42.84 o 0 4 6 544.42 601.97 38.93 o -2 5 6 2221.14 2230.31 46.32 o -1 5 6 25177.99 23804.64 195.89 o 0 5 6 1806.88 1886.85 66.87 o -3 6 6 20653.78 20717.99 364.13 o 0 0 7 6.97 -9.48 20.27 o 0 1 7 4.91 5.09 8.40 o -1 2 7 9.19 13.00 9.51 o 0 2 7 2.38 -0.61 10.24 o -1 3 7 3.53 2.56 8.65 o 0 3 7 7.61 18.80 11.72 o -2 4 7 5.00 14.05 14.25 o -1 4 7 2.61 -8.19 8.19 o 0 4 7 1.28 -12.27 12.27 o -2 5 7 1.95 -11.97 11.97 o -1 5 7 5.56 5.06 11.74 o 0 0 8 34395.58 33269.73 671.84 o 0 1 8 2782.14 2581.48 45.50 o -1 2 8 8097.88 7989.95 93.31 o 0 2 8 995.85 1189.56 46.15 o -1 3 8 2102.86 2114.81 40.24 o 0 3 8 6355.37 6411.65 103.91 o -2 4 8 20366.37 20506.35 234.17 o -1 4 8 1673.79 1752.85 38.72 o 0 4 8 578.69 683.95 40.87 o -2 5 8 1363.81 1581.77 59.16 o 0 0 9 120.03 108.78 32.03 o 0 1 9 80.36 80.70 12.81 o -1 2 9 97.03 102.81 13.14 o 0 2 9 80.26 97.24 15.09 o -1 3 9 63.72 90.28 10.71 o 0 3 9 80.02 67.90 13.94 o -2 4 9 81.04 140.36 20.94 o -1 4 9 51.76 94.43 15.19 o 0 0 10 1223.03 1368.12 95.56 o 0 1 10 313.85 361.04 23.29 o -1 2 10 9833.67 9606.90 120.44 o 0 2 10 6641.47 6388.26 101.55 o -1 3 10 266.05 328.69 16.54 o 0 3 10 7955.59 7952.66 158.75 o 0 0 11 6.13 22.69 23.47 o 0 1 11 11.61 17.83 14.67 o -1 2 11 3.34 -9.43 17.70 o