#------------------------------------------------------------------------------ #$Date: 2023-11-21 17:12:24 +0200 (Tue, 21 Nov 2023) $ #$Revision: 287706 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/97/1539747.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_1539747 loop_ _publ_author_name 'Fleet, Michael E.' _publ_section_title ; The structure of magnetite: Symmetry of cubic spinels ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 75 _journal_page_last 82 _journal_volume 62 _journal_year 1986 _journal_paper_doi 10.1016/0022-4596(86)90218-5 _chemical_compound_source 'Sample No. 633A, Dana Collection, University of Western Ontario' _chemical_formula_sum 'Fe3 O4' _chemical_name_mineral Magnetite _space_group_IT_number 216 _symmetry_space_group_name_Hall 'F -4 2 3' _symmetry_space_group_name_H-M 'F -4 3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 8.3941(7) _cell_length_b 8.3941(7) _cell_length_c 8.3941(7) _cell_volume 591.456 _citation_journal_id_ASTM JSSCBI _database_code_amcsd 0020590 _exptl_crystal_density_diffrn 5.200 _cod_data_source_file 16796.cif _cod_data_source_block 16796 _cod_database_code 1539747 loop_ _space_group_symop_operation_xyz x,y,z y,-x,-z -x,-y,z -y,x,-z x,-y,-z -y,-x,z -x,y,-z y,x,z z,x,y x,-z,-y -z,-x,y -x,z,-y z,-x,-y -x,-z,y -z,x,-y x,z,y y,z,x y,-z,-x -z,-y,x -y,z,-x z,y,x -y,-z,x -z,y,-x z,-y,-x x,y+1/2,z+1/2 y,-x+1/2,-z+1/2 -x,-y+1/2,z+1/2 -y,x+1/2,-z+1/2 x,-y+1/2,-z+1/2 -y,-x+1/2,z+1/2 -x,y+1/2,-z+1/2 y,x+1/2,z+1/2 z,x+1/2,y+1/2 x,-z+1/2,-y+1/2 -z,-x+1/2,y+1/2 -x,z+1/2,-y+1/2 z,-x+1/2,-y+1/2 -x,-z+1/2,y+1/2 -z,x+1/2,-y+1/2 x,z+1/2,y+1/2 y,z+1/2,x+1/2 y,-z+1/2,-x+1/2 -z,-y+1/2,x+1/2 -y,z+1/2,-x+1/2 z,y+1/2,x+1/2 -y,-z+1/2,x+1/2 -z,y+1/2,-x+1/2 z,-y+1/2,-x+1/2 x+1/2,y,z+1/2 y+1/2,-x,-z+1/2 -x+1/2,-y,z+1/2 -y+1/2,x,-z+1/2 x+1/2,-y,-z+1/2 -y+1/2,-x,z+1/2 -x+1/2,y,-z+1/2 y+1/2,x,z+1/2 z+1/2,x,y+1/2 x+1/2,-z,-y+1/2 -z+1/2,-x,y+1/2 -x+1/2,z,-y+1/2 z+1/2,-x,-y+1/2 -x+1/2,-z,y+1/2 -z+1/2,x,-y+1/2 x+1/2,z,y+1/2 y+1/2,z,x+1/2 y+1/2,-z,-x+1/2 -z+1/2,-y,x+1/2 -y+1/2,z,-x+1/2 z+1/2,y,x+1/2 -y+1/2,-z,x+1/2 -z+1/2,y,-x+1/2 z+1/2,-y,-x+1/2 x+1/2,y+1/2,z y+1/2,-x+1/2,-z -x+1/2,-y+1/2,z -y+1/2,x+1/2,-z x+1/2,-y+1/2,-z -y+1/2,-x+1/2,z -x+1/2,y+1/2,-z y+1/2,x+1/2,z z+1/2,x+1/2,y x+1/2,-z+1/2,-y -z+1/2,-x+1/2,y -x+1/2,z+1/2,-y z+1/2,-x+1/2,-y -x+1/2,-z+1/2,y -z+1/2,x+1/2,-y x+1/2,z+1/2,y y+1/2,z+1/2,x y+1/2,-z+1/2,-x -z+1/2,-y+1/2,x -y+1/2,z+1/2,-x z+1/2,y+1/2,x -y+1/2,-z+1/2,x -z+1/2,y+1/2,-x z+1/2,-y+1/2,-x 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 Fe1 Fe+2 0.0000 0.0000 0.0000 1.0 0.00445 Fe2 Fe+2 0.5000 0.5000 0.5000 1.0 0.00433 Fe3 Fe+3 0.6253(1) 0.6253(1) 0.6253(1) 1.0 0.00599 O1 O-2 0.8722(8) 0.8722(8) 0.8722(8) 1.0 0.00450 O2 O-2 0.3817(4) 0.3817(4) 0.3817(4) 1.0 0.01007 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 AMCSD 0020590 loop_ _citation_author_citation_id _citation_author_name 2 'Fleet, Michael E.' loop_ _citation_id _citation_coordinate_linkage _citation_title _citation_page_first _citation_page_last _citation_year _citation_journal_abbrev _citation_journal_volume _citation_journal_issue _citation_journal_id_ISSN _citation_special_details 2 no 'The structure of magnetite' 917 920 1981 'Acta Cryst. B' 37 4 2052-5206 ;Sample source and unit cell parameter a taken from this publication (S.G.). ; loop_ _cod_entry_issue_id _cod_entry_issue_origin _cod_entry_issue_severity _cod_entry_issue_description _cod_entry_issue_author _cod_entry_issue_date 1 original note ;Sample source and unit cell parameter a taken from publication _citation_id == 2. ; 'Saulius Gra\