#------------------------------------------------------------------------------ #$Date: 2015-07-13 03:15:33 +0300 (Mon, 13 Jul 2015) $ #$Revision: 148851 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/73/1527335.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_1527335 loop_ _publ_author_name 'El Balkhi, A.M.' 'Zanne, M.' 'Gleitzer, C.' 'Courtois, A.' _publ_section_title ; Preparation et proprietes d'un oxyde de sodium-fer(II, III): Na Fe2 O3 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 293 _journal_page_last 297 _journal_volume 18 _journal_year 1976 _chemical_formula_sum 'Fe2 Na O3' _chemical_name_systematic 'Na Fe2 O3' _space_group_IT_number 166 _symmetry_space_group_name_Hall '-R 3 2"' _symmetry_space_group_name_H-M 'R -3 m :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 4 _cell_length_a 3.047 _cell_length_b 3.047 _cell_length_c 31.04 _cell_volume 249.573 _citation_journal_id_ASTM JSSCBI _cod_data_source_file ElBalkhi_JSSCBI_1976_1753.cif _cod_data_source_block Fe2Na1O3 _cod_original_cell_volume 249.5728 _cod_chemical_formula_sum_orig 'Fe2 Na1 O3' _cod_database_code 1527335 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z y,x,-z -x,-x+y,-z x-y,-y,-z -x,-y,-z y,-x+y,-z x-y,x,-z -y,-x,z x,x-y,z -x+y,y,z x+2/3,y+1/3,z+1/3 -y+2/3,x-y+1/3,z+1/3 -x+y+2/3,-x+1/3,z+1/3 y+2/3,x+1/3,-z+1/3 -x+2/3,-x+y+1/3,-z+1/3 x-y+2/3,-y+1/3,-z+1/3 -x+2/3,-y+1/3,-z+1/3 y+2/3,-x+y+1/3,-z+1/3 x-y+2/3,x+1/3,-z+1/3 -y+2/3,-x+1/3,z+1/3 x+2/3,x-y+1/3,z+1/3 -x+y+2/3,y+1/3,z+1/3 x+1/3,y+2/3,z+2/3 -y+1/3,x-y+2/3,z+2/3 -x+y+1/3,-x+2/3,z+2/3 y+1/3,x+2/3,-z+2/3 -x+1/3,-x+y+2/3,-z+2/3 x-y+1/3,-y+2/3,-z+2/3 -x+1/3,-y+2/3,-z+2/3 y+1/3,-x+y+2/3,-z+2/3 x-y+1/3,x+2/3,-z+2/3 -y+1/3,-x+2/3,z+2/3 x+1/3,x-y+2/3,z+2/3 -x+y+1/3,y+2/3,z+2/3 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 O2 O-2 0 0 0.5 1 0.0 O3 O-2 0 0 0.235 1 0.0 Fe1 Fe+2 0 0 0.381 1 0.0 Na1 Na+1 0 0 0.119 0.667 0.0 Fe2 Fe+2 0 0 0.119 0.333 0.0 O1 O-2 0 0 0 1 0.0