#------------------------------------------------------------------------------ #$Date: 2013-05-01 01:00:50 +0300 (Wed, 01 May 2013) $ #$Revision: 82989 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/99/1509923.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_1509923 loop_ _publ_author_name 'Jansen, M.' 'Kovalevskiy, A.' _publ_section_title ; Synthesis, crystal structure determination, and physical properties of Ag5 I O6 ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 577 _journal_page_last 581 _journal_volume 632 _journal_year 2006 _chemical_formula_sum 'Ag5 I O6' _chemical_name_systematic 'Ag5 (I O6)' _space_group_IT_number 167 _symmetry_space_group_name_Hall '-R 3 2"c' _symmetry_space_group_name_H-M 'R -3 c :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 6 _cell_length_a 5.9366 _cell_length_b 5.9366 _cell_length_c 32.1471 _cell_volume 981.178 _citation_journal_id_ASTM ZAACAB _[local]_cod_data_source_file silver3-x_212.cif _[local]_cod_data_source_block Ag5I1O6 _[local]_cod_chemical_formula_sum_orig 'Ag5 I1 O6' _cod_original_cell_volume 981.1785 _cod_database_code 1509923 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z y,x,-z+1/2 -x,-x+y,-z+1/2 x-y,-y,-z+1/2 -x,-y,-z y,-x+y,-z x-y,x,-z -y,-x,z-1/2 x,x-y,z-1/2 -x+y,y,z-1/2 x+2/3,y+1/3,z+1/3 -y+2/3,x-y+1/3,z+1/3 -x+y+2/3,-x+1/3,z+1/3 y+2/3,x+1/3,-z+5/6 -x+2/3,-x+y+1/3,-z+5/6 x-y+2/3,-y+1/3,-z+5/6 -x+2/3,-y+1/3,-z+1/3 y+2/3,-x+y+1/3,-z+1/3 x-y+2/3,x+1/3,-z+1/3 -y+2/3,-x+1/3,z-1/6 x+2/3,x-y+1/3,z-1/6 -x+y+2/3,y+1/3,z-1/6 x+1/3,y+2/3,z+2/3 -y+1/3,x-y+2/3,z+2/3 -x+y+1/3,-x+2/3,z+2/3 y+1/3,x+2/3,-z+7/6 -x+1/3,-x+y+2/3,-z+7/6 x-y+1/3,-y+2/3,-z+7/6 -x+1/3,-y+2/3,-z+2/3 y+1/3,-x+y+2/3,-z+2/3 x-y+1/3,x+2/3,-z+2/3 -y+1/3,-x+2/3,z+1/6 x+1/3,x-y+2/3,z+1/6 -x+y+1/3,y+2/3,z+1/6 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 Ag2 Ag+1 0 0 0.15546 1 0.0 I1 I+7 0 0 0 1 0.0 O1 O-2 0.2779 0.033 0.0341 1 0.0 Ag1 Ag+1 0.3046 0 0.25 1 0.0