#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/84/1528495.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_1528495 loop_ _publ_author_name 'Foo, M.L.' 'Klimczuk, T.' 'Huang, Q.' 'Lee, W.-L.' 'Lynn, J.W.' 'Cava, R.J.' 'Hagemann, I.S.' 'Ong, N.P.' _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 'Li0.8 O3 Ru' _chemical_name_systematic 'Li0.80 O3 Ru' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 100.023 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 4.9274 _cell_length_b 8.786 _cell_length_c 9.886 _cell_volume 421.454 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Foo_JSSCBI_2006_935.cif _cod_data_source_block Li0.8O3Ru1 _cod_original_cell_volume 421.4541 _cod_original_formula_sum 'Li0.8 O3 Ru1' _cod_database_code 1528495 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z+1/2 -x,-y,-z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-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 O3 O-2 0.17211 0.91499 0.09665 1 0.0 O2 O-2 0.05165 0.26876 0.11522 1 0.0 Li1 Li+1 0.25 0.25 0.5 0.4 0.0 O1 O-2 0.13256 0.22125 0.08826 1 0.0 Li4 Li+1 0 0.72 0.25 0.4 0.0 Li3 Li+1 0 0.41 0.25 0.4 0.0 Li2 Li+1 0 0.1 0.25 0.4 0.0 Ru1 Ru+5 0.22889 0.06352 -0.0084 1 0.0