#------------------------------------------------------------------------------ #$Date: 2013-04-29 20:49:11 +0300 (Mon, 29 Apr 2013) $ #$Revision: 82234 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/93/1509324.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1509324 loop_ _publ_author_name 'Decken, A.' 'Passmore, J.' 'Krossing, I.' 'Cameron, T.S.' 'Min Fang' 'Dionne, I.' _publ_section_title ; Approaching the gas phase structures of AgS8+ and AgS16+ in the solid state ; _journal_name_full 'Chemistry - A European Journal' _journal_page_first 3386 _journal_page_last 3401 _journal_volume 8 _journal_year 2002 _chemical_formula_sum 'Ag F30 O6 S16 Sb Te6' _chemical_name_systematic 'Ag (S8)2 (Sb (O Te F5)6)' _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 95.96 _cell_angle_beta 108.94 _cell_angle_gamma 81.29 _cell_formula_units_Z 1 _cell_length_a 10.756 _cell_length_b 10.905 _cell_length_c 10.456 _cell_volume 1144.687 _citation_journal_id_ASTM CEUJED _[local]_cod_data_source_file silver1-2_240.cif _[local]_cod_data_source_block Ag1F30O6S16Sb1Te6 _[local]_cod_chemical_formula_sum_orig 'Ag1 F30 O6 S16 Sb1 Te6' _cod_database_code 1509324 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv F2 F-1 0.5073 -0.0026 -0.339 1 0.0 S8 S 0.0285 0.3153 0.197 1 0.0 F15 F-1 0.5972 0.3563 0.1416 1 0.0 F11 F-1 0.3838 0.4836 0.0798 1 0.0 Te3 Te+6 0.4302 0.3219 0.0865 1 0.0 S5 S 0.1571 0.6753 0.3793 1 0.0 Te1 Te+6 0.6534 0.0659 -0.2359 1 0.0 F5 F-1 0.5751 0.2219 -0.2731 1 0.0 Te2 Te+6 0.1756 0.029 -0.2402 1 0.0 F3 F-1 0.8016 0.1304 -0.1465 1 0.0 S3 S 0.2962 0.4569 0.5932 1 0.0 F9 F-1 0.2127 -0.0138 -0.3936 1 0.0 F12 F-1 0.426 0.3395 0.2569 1 0.0 S7 S -0.0486 0.4983 0.1818 1 0.0 Sb1 Sb+5 0.5 0 0 1 0.0 Ag1 Ag+1 0 0.5 0.5 1 0.0 F6 F-1 0.0105 0.013 -0.3365 1 0.0 F13 F-1 0.4249 0.3165 -0.0884 1 0.0 F14 F-1 0.2552 0.3069 0.031 1 0.0 F4 F-1 0.7486 -0.0874 -0.2042 1 0.0 S4 S 0.3333 0.5789 0.4791 1 0.0 F7 F-1 0.1364 0.1869 -0.2911 1 0.0 F1 F-1 0.7014 0.0615 -0.3811 1 0.0 O3 O-2 0.3451 0.0607 -0.1458 1 0.0 F8 F-1 0.1993 -0.1344 -0.1961 1 0.0 O2 O-2 0.4862 0.1553 0.1029 1 0.0 S6 S 0.0908 0.6015 0.1859 1 0.0 O1 O-2 0.6087 0.072 -0.0789 1 0.0 S2 S 0.2811 0.2875 0.4902 1 0.0 F10 F-1 0.1158 0.0733 -0.0993 1 0.0 S1 S 0.0819 0.2795 0.3992 1 0.0