#------------------------------------------------------------------------------ #$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176453 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/20/93/7209359.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_7209359 loop_ _publ_author_name 'Weil, M.' _publ_section_title ; Investigations in the systems Ag - Hg - X - O (X = As(V), Se(IV), Se(VI)): hydrothermal single crystal growth of Ag3 As O4, Ag Hg(I)2 As O4, Ag Hg(II) As O4, Ag2 Se O4 and the crystal structure of Ag2 Hg(II) (Se O3)2 ; _journal_name_full ; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) ; _journal_page_first 1091 _journal_page_last 1096 _journal_volume 58 _journal_year 2003 _chemical_formula_sum 'Ag2 O4 Se' _chemical_name_systematic 'Ag2 (Se O4)' _space_group_IT_number 70 _symmetry_space_group_name_Hall '-F 2uv 2vw' _symmetry_space_group_name_H-M 'F d d d :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 6.0531 _cell_length_b 10.3898 _cell_length_c 13.0001 _cell_volume 817.583 _citation_journal_id_ASTM ZNBSEN _cod_data_source_file silver2-3_163.cif _cod_data_source_block Ag2O4Se1 _cod_original_cell_volume 817.5828 _cod_original_formula_sum 'Ag2 O4 Se1' _cod_database_code 7209359 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/4,-y+1/4,z x,-y+1/4,-z+1/4 -x+1/4,y,-z+1/4 -x,-y,-z x-1/4,y-1/4,-z -x,y-1/4,z-1/4 x-1/4,-y,z-1/4 x,y+1/2,z+1/2 -x+1/4,-y+3/4,z+1/2 x,-y+3/4,-z+3/4 -x+1/4,y+1/2,-z+3/4 -x,-y+1/2,-z+1/2 x-1/4,y+1/4,-z+1/2 -x,y+1/4,z+1/4 x-1/4,-y+1/2,z+1/4 x+1/2,y,z+1/2 -x+3/4,-y+1/4,z+1/2 x+1/2,-y+1/4,-z+3/4 -x+3/4,y,-z+3/4 -x+1/2,-y,-z+1/2 x+1/4,y-1/4,-z+1/2 -x+1/2,y-1/4,z+1/4 x+1/4,-y,z+1/4 x+1/2,y+1/2,z -x+3/4,-y+3/4,z x+1/2,-y+3/4,-z+1/4 -x+3/4,y+1/2,-z+1/4 -x+1/2,-y+1/2,-z x+1/4,y+1/4,-z -x+1/2,y+1/4,z-1/4 x+1/4,-y+1/2,z-1/4 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 0.279 0.0304 0.0533 1 0.0 Se1 Se+6 0.125 0.125 0.125 1 0.0 Ag1 Ag+1 0.125 0.4475 0.125 1 0.0