#------------------------------------------------------------------------------ #$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1000482.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_1000482 _chemical_name_systematic 'Lanthanum palladium oxide (2/2/5)' _chemical_formula_structural 'La2 Pd2 O5' _chemical_formula_sum 'La2 O5 Pd2' _publ_section_title ; Structural correlations within the lanthanum palladium oxide family ; loop_ _publ_author_name 'Attfield, J P' 'Ferey, G' _journal_name_full 'Journal of Solid State Chemistry' _journal_coden_ASTM JSSCBI _journal_volume 80 _journal_year 1989 _journal_page_first 286 _journal_page_last 298 _cell_length_a 6.703(2) _cell_length_b 6.703(2) _cell_length_c 5.630(2) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 253.0 _cell_formula_units_Z 2 _symmetry_space_group_name_H-M 'P 42/m' _symmetry_Int_Tables_number 84 _symmetry_cell_setting tetragonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,z' '-y,x,1/2+z' 'y,-x,1/2+z' '-x,-y,-z' 'x,y,-z' 'y,-x,1/2-z' '-y,x,1/2-z' loop_ _atom_type_symbol _atom_type_oxidation_number La3+ 3.000 Pd2+ 2.000 O2- -2.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag La1 La3+ 4 j 0.2648(4) 0.1080(6) 0. 1. 0 d Pd1 Pd2+ 4 j 0.3099(6) 0.5951(6) 0. 1. 0 d O1 O2- 8 k 0.198(3) 0.402(3) 0.255(3) 1. 0 d O2 O2- 2 e 0. 0. 0.25 1. 0 d _cod_database_code 1000482