#------------------------------------------------------------------------------ #$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: svn://www.crystallography.net/cod/cif/2/2002231.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_2002231 _chemical_name_systematic 'Strontium tetraoxohexaargentate(I)' _chemical_formula_structural 'Sr (Ag6 O4)' _chemical_formula_sum 'Ag6 O4 Sr' _publ_section_title 'Strontiumargentat Sr Ag6 O4' loop_ _publ_author_name 'Keller, H L' 'Mueller-Buschbaum, Hk' _journal_name_full ; Zeitschrift fuer Anorganische und Allgemeine Chemie ; _journal_volume 393 _journal_year 1972 _journal_page_first 266 _journal_page_last 274 _cell_length_a 6.518 _cell_length_b 12.416 _cell_length_c 8.909 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 721.0 _cell_formula_units_Z 4 _symmetry_space_group_name_H-M 'P n n a' _symmetry_Int_Tables_number 52 _symmetry_cell_setting orthorhombic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2-x,-y,z' 'x,1/2-y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2+x,y,-z' '-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2+z' loop_ _atom_type_symbol _atom_type_oxidation_number Sr2+ 2.000 Ag1+ 1.000 O2- -2.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Sr1 Sr2+ 4 c 0.25 0. 0.618 1. 0 d Ag1 Ag1+ 4 a 0. 0. 0. 1. 0 d Ag2 Ag1+ 8 e 0.204 0.122 0.263 1. 0 d Ag3 Ag1+ 8 e 0.923 0.239 0.038 1. 0 d Ag4 Ag1+ 4 d 0.598 0.25 0.25 1. 0 d O1 O2- 8 e 0.453 0.12 0.416 1. 0 d O2 O2- 8 e 0.9 0.103 0.17 1. 0 d