#------------------------------------------------------------------------------ #$Date: 2013-05-01 01:21:11 +0300 (Wed, 01 May 2013) $ #$Revision: 83123 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/00/1510018.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_1510018 loop_ _publ_author_name 'Bergerhoff, G.' _publ_section_title ; Die Kristallstruktur des Argentosulfoniumnitrats, (Ag3 S) (N O3) ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 328 _journal_page_last 337 _journal_volume 299 _journal_year 1959 _chemical_formula_sum 'Ag3 N O3 S' _chemical_name_systematic '(Ag3 S) (N O3)' _space_group_IT_number 198 _symmetry_space_group_name_Hall 'P 2ac 2ab 3' _symmetry_space_group_name_H-M 'P 21 3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.929 _cell_length_b 7.929 _cell_length_c 7.929 _cell_volume 498.489 _citation_journal_id_ASTM ZAACAB _[local]_cod_data_source_file silver3-x_57.cif _[local]_cod_data_source_block Ag3N1O3S1 _[local]_cod_chemical_formula_sum_orig 'Ag3 N1 O3 S1' _cod_original_cell_volume 498.4886 _cod_database_code 1510018 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-z -x,y+1/2,-z+1/2 z,x,y -z+1/2,-x,y+1/2 z+1/2,-x+1/2,-y -z,x+1/2,-y+1/2 y,z,x y+1/2,-z+1/2,-x -y,z+1/2,-x+1/2 -y+1/2,-z,x+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 O1 O-2 0.31 0.373 0.532 1 0.0 N1 N+5 0.411 0.411 0.411 1 0.0 Ag1 Ag+1 0.31 0.997 0.364 1 0.0 S1 S-2 0.133 0.133 0.133 1 0.0