#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/13/1011329.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_1011329 loop_ _publ_author_name 'Levi, G R' 'Fontana, C' _publ_section_title 'Ossidi di palladio' _journal_coden_ASTM GCITA9 _journal_name_full 'Gazzetta Chimica Italiana' _journal_page_first 388 _journal_page_last 396 _journal_volume 56 _journal_year 1926 _chemical_formula_structural 'Pd O' _chemical_formula_sum 'O Pd' _chemical_name_systematic 'Palladium oxide' _space_group_IT_number 83 _symmetry_cell_setting tetragonal _symmetry_Int_Tables_number 83 _symmetry_space_group_name_Hall '-P 4' _symmetry_space_group_name_H-M 'P 4/m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 3. _cell_length_b 3. _cell_length_c 5.2 _cell_volume 46.8 _cod_database_code 1011329 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z -y,x,z y,-x,z -x,-y,-z x,y,-z y,-x,-z -y,x,-z 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 Pd1 Pd2+ 1 a 0. 0. 0. 1. 0 d O1 O2- 1 d 0.5 0.5 0.5 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Pd2+ 2.000 O2- -2.000