#------------------------------------------------------------------------------ #$Date: 2015-01-27 19:58:39 +0000 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: svn://www.crystallography.net/cod/cif/2/00/23/2002332.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_2002332 loop_ _publ_author_name 'Mueller-Buschbaum, Hk' 'Grande, B' _publ_section_title ; Ein Beitrag zu Verbindungen vom Typ Mex Pt3 O4 ; _journal_name_full 'Journal of Inorganic and Nuclear Chemistry' _journal_page_first 1084 _journal_page_last 1085 _journal_paper_doi 10.1016/0022-1902(77)80270-4 _journal_volume 39 _journal_year 1977 _chemical_formula_structural 'Pt0.4 Pt3 O4' _chemical_formula_sum 'O4 Pt3.4' _chemical_name_systematic 'Platinum oxide (3.4/4)' _space_group_IT_number 223 _symmetry_cell_setting cubic _symmetry_Int_Tables_number 223 _symmetry_space_group_name_Hall '-P 4n 2 3' _symmetry_space_group_name_H-M 'P m -3 n' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.612 _cell_length_b 5.612 _cell_length_c 5.612 _cell_volume 176.7 _refine_ls_R_factor_all 0.084 _cod_database_code 2002332 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 -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 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 Pt1 Pt0 2 a 0. 0. 0. 0.4 0 d Pt2 Pt0 6 c 0.25 0. 0.5 1. 0 d O1 O0 8 e 0.25 0.25 0.25 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Pt0 0.000 O0 0.000