#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/93/1509389.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_1509389 loop_ _publ_author_name 'Masse, R.' 'Guitel, J.C.' _publ_section_title ; Preparation chimique et structure cristalline de l'iodate d'argent Ag I O3 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 177 _journal_page_last 180 _journal_paper_doi 10.1016/0022-4596(80)90564-2 _journal_volume 32 _journal_year 1980 _chemical_formula_sum 'Ag I O3' _chemical_name_systematic 'Ag I O3' _space_group_IT_number 29 _symmetry_space_group_name_Hall 'P 2c -2b' _symmetry_space_group_name_H-M 'P b c 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 7.265 _cell_length_b 15.17 _cell_length_c 5.786 _cell_volume 637.675 _citation_journal_id_ASTM JSSCBI _cod_data_source_file silver1-2_325.cif _cod_data_source_block Ag1I1O3 _cod_original_cell_volume 637.6753 _cod_original_sg_symbol_Hall 'P 2c -2ac (y,-x,z)' _cod_original_formula_sum 'Ag1 I1 O3' _cod_database_code 1509389 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z+1/2 x,-y+1/2,z+1/2 -x,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 O2 O-2 0.324 0.4359 0.209 1 0.0 O6 O-2 0.627 0.3057 0.331 1 0.0 Ag1 Ag+1 0.3923 0.29624 0 1 0.0 O1 O-2 0.44 0.3916 0.679 1 0.0 Ag2 Ag+1 0.8704 0.29357 0.0068 1 0.0 I1 I+5 0.1309 0.41146 0.3969 1 0.0 O3 O-2 0.829 0.3814 0.671 1 0.0 O4 O-2 -0.058 0.4352 0.209 1 0.0 O5 O-2 0.135 0.2931 0.355 1 0.0 I2 I+5 0.6353 0.41018 0.4787 1 0.0