#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/67/2226713.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_2226713_Fobs loop_ _publ_author_name 'Park, Sojeong' 'Yun, Hoseop' _publ_section_title ; The quinternary thiophosphate Cs~0.5~Ag~0.5~Nb~2~PS~10~ ; _journal_coeditor_code WM2357 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i51 _journal_page_last i52 _journal_volume 66 _journal_year 2010 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 91.089 _cell_angle_gamma 90.000 _cell_length_a 7.3594 _cell_length_b 12.8534 _cell_length_c 13.7788 _exptl_crystal_F_000 1232.00 _reflns_d_resolution_high 0.7701 _[local]_cod_data_source_file wm2357Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' SJ Park Cu-Nb-P-S/CsCl P21/c (#14)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 454.63 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' 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 2 0 0 199965.91 205436.53 5075.91 o 3 0 0 60222.68 62111.89 1047.97 o 4 0 0 12265.27 12694.99 207.43 o 5 0 0 36339.19 37256.38 780.95 o 6 0 0 13755.85 14311.94 420.98 o 7 0 0 19897.32 20636.75 636.79 o 8 0 0 4481.83 4586.47 309.75 o 9 0 0 10379.83 10241.56 761.66 o 1 1 0 14447.00 14899.42 134.45 o 2 1 0 2653.32 2625.65 37.58 o 3 1 0 49233.32 49539.71 594.71 o 4 1 0 17310.22 16940.26 199.06 o 5 1 0 6172.10 6254.56 110.07 o 6 1 0 4425.15 4420.06 111.79 o 7 1 0 4779.29 4938.48 157.99 o 8 1 0 2.59 77.42 47.35 o 9 1 0 3309.08 3412.11 178.50 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