#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/03/1010324.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_1010324 loop_ _publ_author_name 'Helmholz, L' _publ_section_title 'The Crystal Structure of Silver Phosphate' _journal_coden_ASTM JCPSA6 _journal_name_full 'Journal of Chemical Physics' _journal_page_first 316 _journal_page_last 322 _journal_paper_doi 10.1063/1.1749847 _journal_volume 4 _journal_year 1936 _chemical_formula_structural 'Ag3 P O4' _chemical_formula_sum 'Ag3 O4 P' _chemical_name_systematic 'Silver phosphate' _space_group_IT_number 218 _symmetry_cell_setting cubic _symmetry_Int_Tables_number 218 _symmetry_space_group_name_Hall 'P -4n 2 3' _symmetry_space_group_name_H-M 'P -4 3 n' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.995 _cell_length_b 5.995 _cell_length_c 5.995 _cell_volume 215.5 _cod_database_code 1010324 loop_ _symmetry_equiv_pos_as_xyz x,y,z y,z,x z,x,y -x,y,-z -y,z,-x -z,x,-y x,-y,-z y,-z,-x z,-x,-y -x,-y,z -y,-z,x -z,-x,y 1/2+x,1/2+z,1/2+y 1/2+y,1/2+x,1/2+z 1/2+z,1/2+y,1/2+x 1/2-x,1/2-z,1/2+y 1/2-y,1/2-x,1/2+z 1/2-z,1/2-y,1/2+x 1/2+x,1/2-z,1/2-y 1/2+y,1/2-x,1/2-z 1/2+z,1/2-y,1/2-x 1/2-x,1/2+z,1/2-y 1/2-y,1/2+x,1/2-z 1/2-z,1/2+y,1/2-x 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 P1 P5+ 2 a 0. 0. 0. 1. 0 d Ag1 Ag1+ 6 d 0.5 0.25 0. 1. 0 d O1 O2- 8 e 0.3450(25) 0.3450(25) 0.3450(25) 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number P5+ 5.000 Ag1+ 1.000 O2- -2.000