#------------------------------------------------------------------------------ #$Date: 2015-07-13 21:56:14 +0300 (Mon, 13 Jul 2015) $ #$Revision: 150787 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/84/1528494.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_1528494 loop_ _publ_author_name 'Foo, M.L.' 'Huang, Q.' 'Lynn, J.W.' 'Lee, W.-L.' 'Hagemann, I.S.' 'Klimczuk, T.' 'Ong, N.P.' 'Cava, R.J.' _publ_section_title ; Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11 (M = Li and Cu) and Ba M'2 Ru4 O11 (M' = Mn, Fe and Co) ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 563 _journal_page_last 572 _journal_volume 179 _journal_year 2006 _chemical_formula_sum 'Ba Li0.55 O11 Ru5' _chemical_name_systematic 'Ba Li0.55 Ru5 O11' _space_group_IT_number 194 _symmetry_space_group_name_Hall '-P 6c 2c' _symmetry_space_group_name_H-M 'P 63/m m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 5.8113 _cell_length_b 5.8113 _cell_length_c 13.7893 _cell_volume 403.292 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Foo_JSSCBI_2006_934.cif _cod_data_source_block Ba1Li0.55O11Ru5 _cod_original_cell_volume 403.2918 _cod_chemical_formula_sum_orig 'Ba1 Li0.55 O11 Ru5' _cod_database_code 1528494 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z+1/2 -y,x-y,z -x,-y,z+1/2 -x+y,-x,z y,-x+y,z+1/2 -y,-x,-z+1/2 x-y,-y,-z x,x-y,-z+1/2 y,x,-z -x+y,y,-z+1/2 -x,-x+y,-z -x,-y,-z -x+y,-x,-z-1/2 y,-x+y,-z x,y,-z-1/2 x-y,x,-z -y,x-y,-z-1/2 y,x,z-1/2 -x+y,y,z -x,-x+y,z-1/2 -y,-x,z x-y,-y,z-1/2 x,x-y,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 Ru2 Ru+3 0.5 0 0 1 0.0 Ru1 Ru+3 0 0 0.15756 1 0.0 O3 O-2 0.33333 0.66667 0.5809 1 0.0 Li1 Li+1 0.33333 0.66667 0.75 0.55 0.0 Ba1 Ba+2 0.33333 0.66667 0.25 1 0.0 O1 O-2 0.1692 0.3384 0.08028 1 0.0 O2 O-2 0.8526 0.7052 0.25 1 0.0