#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/91/1509148.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_1509148 loop_ _publ_author_name 'Ruck, M.' 'Poudeu Poudeu, P.F.' 'Soehnel, T.' _publ_section_title ; Homologous silver bismuth chalcogenide halides (N,x)P.I. syntheses and crystal structures of the (0,1)P compound Ag Bi2 S2 Cl3 and of three members of the (1,x)P solid solution series Ag(x) Bi(4-2x) S(6-4x) Br(4x) ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 1276 _journal_page_last 1285 _journal_paper_doi 10.1002/zaac.200400131 _journal_volume 630 _journal_year 2004 _chemical_formula_sum 'Ag Bi2 Cl3 S2' _chemical_name_systematic 'Ag Bi2 S2 Cl3' _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 110.98 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 12.573 _cell_length_b 4 _cell_length_c 8.041 _cell_volume 377.589 _citation_journal_id_ASTM ZAACAB _cod_data_source_file silver1-2_101.cif _cod_data_source_block Ag1Bi2Cl3S2 _cod_original_cell_volume 377.5886 _cod_original_formula_sum 'Ag1 Bi2 Cl3 S2' _cod_database_code 1509148 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z -x,-y,-z x,-y,z x+1/2,y+1/2,z -x+1/2,y+1/2,-z -x+1/2,-y+1/2,-z x+1/2,-y+1/2,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 S1 S-2 0.33583 0 0.6758 1 0.0 Ag1 Ag+1 0.5 0 0 1 0.0 Bi1 Bi+3 0.30356 0 0.3181 0.955 0.0 Cl2 Cl-1 0.1347 0 0.9484 1 0.0 Cl1 Cl-1 0 0 0.5 1 0.0 Bi2 Bi+3 0.2921 0 0.257 0.045 0.0