#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/11/1521177.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_1521177 loop_ _publ_author_name 'Hong, K.-P.' 'Choi, Y.-H.' 'Jung, D.-Y.' 'Kwon, Y.-U.' 'Shim, H.-S.' 'Lee, J.-S.' 'Lee, C.-H.' _publ_section_title ; Atomic and magnetic long-range orderings in Ba La M Ru O6 (M = Mg and Zn) ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 383 _journal_page_last 390 _journal_volume 150 _journal_year 2000 _chemical_formula_sum 'Ba La O6 Ru Zn' _chemical_name_systematic 'Ba La Zn Ru O6' _space_group_IT_number 87 _symmetry_space_group_name_Hall '-I 4' _symmetry_space_group_name_H-M 'I 4/m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.6521 _cell_length_b 5.6521 _cell_length_c 7.9987 _cell_volume 255.528 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Hong_JSSCBI_2000_1826.cif _cod_data_source_block Ba1La1O6Ru1Zn1 _cod_original_cell_volume 255.5284 _cod_original_formula_sum 'Ba1 La1 O6 Ru1 Zn1' _cod_database_code 1521177 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z -x,-y,-z y,-x,-z x,y,-z -y,x,-z x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 -x+1/2,-y+1/2,-z+1/2 y+1/2,-x+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -y+1/2,x+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 Ba1 Ba+2 0 0.5 0.25 0.5 0.0 Zn2 Zn+2 0 0 0.5 0.007 0.0 O2 O-2 0.226 0.286 0 1 0.0 Zn1 Zn+2 0 0 0 0.993 0.0 Ru2 Ru+5 0 0 0.5 0.993 0.0 O1 O-2 0 0 0.254 1 0.0 Ru1 Ru+5 0 0 0 0.007 0.0 La1 La+3 0 0.5 0.25 0.5 0.0