#------------------------------------------------------------------------------ #$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $ #$Revision: 120071 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/00/1510016.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_1510016 loop_ _publ_author_name 'Guo Guocong' 'Zhou Guowei' 'Ma Hongwei' 'Dong Zhenchao' 'Deng Lei' 'Chen Wentong' 'Huang Jinshun' _publ_section_title ; Syntheses and crystal structures of new quaternary Ag-containing group 5 chalcogenides: K Ag2 M(V) Se4 and K3 Ag3 M(V)2 S8 (M(V) = Nb, Ta) ; _journal_name_full 'Bulletin of the Chemical Society of Japan' _journal_page_first 505 _journal_page_last 509 _journal_volume 77 _journal_year 2004 _chemical_formula_sum 'Ag3 K3 S8 Ta2' _chemical_name_systematic 'Ag3 K3 (Ta S4)2' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 120.631 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 23.598 _cell_length_b 5.5889 _cell_length_c 14.307 _cell_volume 1623.619 _citation_journal_id_ASTM BCSJA8 _[local]_cod_data_source_file silver3-x_49.cif _[local]_cod_data_source_block Ag3K3S8Ta2 _cod_database_code 1510016 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z+1/2 -x,-y,-z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,-y+1/2,z-1/2 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 S4 S-2 0.21116 0.4716 0.38991 1 0.0 S3 S-2 0.15635 0.9618 0.18585 1 0.0 K1 K+1 0.19232 0.4577 0.09597 1 0.0 Ag1 Ag+1 0 0.7186 0.25 1 0.0 S2 S-2 0.03958 0.4786 0.15825 1 0.0 Ta1 Ta+5 0.126173 0.71443 0.279681 1 0.0 S1 S-2 0.09198 0.945 0.37562 1 0.0 K2 K+1 0 0 0 1 0.0 Ag2 Ag+1 0.12297 0.21545 0.28202 1 0.0 _journal_paper_doi 10.1246/bcsj.77.505