#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/88/1528819.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_1528819 loop_ _publ_author_name 'Regan, K.A.' 'Ramirez, A.P.' 'Huang, Q.' 'Lee, M.' 'Cava, J.R.' _publ_section_title ; Structure and magnetism of Na Ru2 O4 and Na2.7 Ru4 O9 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 195 _journal_page_last 204 _journal_volume 179 _journal_year 2006 _chemical_formula_sum 'Na O4 Ru2' _chemical_name_systematic 'Na Ru2 O4' _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2ac 2n' _symmetry_space_group_name_H-M 'P n m a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.2737 _cell_length_b 2.8215 _cell_length_c 11.1701 _cell_volume 292.274 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Regan_JSSCBI_2006_1110.cif _cod_data_source_block Na1O4Ru2 _cod_original_formula_sum 'Na1 O4 Ru2' _cod_database_code 1528819 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-z+1/2 -x,y+1/2,-z -x,-y,-z x-1/2,y,-z-1/2 -x-1/2,y-1/2,z-1/2 x,-y-1/2,z 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 O4 O-2 0.087 0.25 0.9347 1 0.0 Na1 Na+1 0.2399 0.25 0.3397 1 0.0 Ru2 Ru+3 0.848 0.25 0.6036 1 0.0 O1 O-2 0.2946 0.25 0.6594 1 0.0 O3 O-2 0.473 0.25 0.2181 1 0.0 O2 O-2 0.3847 0.25 0.9751 1 0.0 Ru1 Ru+3 0.603 0.25 0.1152 1 0.0