#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/36/1533639.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_1533639 loop_ _publ_author_name 'Battle, P.D.' 'Grey, C.P.' 'Hervieu, M.' 'Paik Youn-Kee' 'Martin, C.' 'Moore, C.A.' _publ_section_title ; Structural chemistry and magnetic properties of La2 Li Ru O6 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 20 _journal_page_last 26 _journal_volume 175 _journal_year 2003 _chemical_formula_sum 'La2 Li O6 Ru' _chemical_name_systematic 'La2 Li (Ru O6)' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90 _cell_angle_beta 90.02 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.5555 _cell_length_b 5.5977 _cell_length_c 7.8454 _cell_volume 243.976 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Battle_JSSCBI_2003_186.cif _cod_data_source_block La2Li1O6Ru1 _cod_original_cell_volume 243.9764 _cod_original_sg_symbol_Hall '-P 2ybc (x-z,y,z)' _cod_chemical_formula_sum_orig 'La2 Li1 O6 Ru1' _cod_database_code 1533639 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,y+1/2,-z+1/2 -x,-y,-z x-1/2,-y-1/2,z-1/2 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 O1 O-2 0.2794 0.7041 0.9605 1 0.0 O2 O-2 0.2002 0.2174 0.9603 1 0.0 La1 La+3 0.0075 0.9589 0.7494 1 0.0 O3 O-2 0.9249 0.5143 0.7577 1 0.0 Ru1 Ru+5 0.5 0 0.5 1 0.0 Li1 Li+1 0.5 0 0 1 0.0