#------------------------------------------------------------------------------ #$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $ #$Revision: 720 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1010082.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_1010082 _chemical_name_systematic 'Potassium tetrachloropalladate' _chemical_formula_structural 'K2 PD CL4' _chemical_formula_sum 'Cl4 K2 Pd' _publ_section_title ; The Crystal Structures of Potassium Chloroplatinate and of Potassium and Ammonium Chloropalladates ; loop_ _publ_author_name 'Dickinson, R G' _journal_name_full 'Journal of the American Chemical Society' _journal_coden_ASTM JACSAT _journal_volume 44 _journal_year 1922 _journal_page_first 2404 _journal_page_last 2411 _cell_length_a 7.04 _cell_length_b 7.04 _cell_length_c 4.1 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 203.2 _cell_formula_units_Z 1 _exptl_crystal_density_meas 2.67 _symmetry_space_group_name_H-M 'P 4/m m m' _symmetry_Int_Tables_number 123 _symmetry_cell_setting tetragonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,z' '-x,y,z' 'x,-y,z' '-y,x,z' 'y,-x,z' 'y,x,z' '-y,-x,z' '-x,-y,-z' 'x,y,-z' 'x,-y,-z' '-x,y,-z' 'y,-x,-z' '-y,x,-z' '-y,-x,-z' 'y,x,-z' loop_ _atom_type_symbol _atom_type_oxidation_number K1+ 1.000 Pd2+ 2.000 Cl1- -1.000 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 K1 K1+ 2 e 0. 0.5 0.5 1. 0 d Pd1 Pd2+ 1 a 0. 0. 0. 1. 0 d Cl1 Cl1- 4 j 0.23 0.23 0. 1. 0 d