#------------------------------------------------------------------------------ #$Date: 2016-02-13 19:28:24 +0000 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/27/1532715.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_1532715 loop_ _publ_author_name 'Welter, R.' 'Vangelisti, R.' 'Omrani, H.' _publ_section_title ; Synthese et analyse radiocristallographique de la solution solide K2 Pd Cl4-x Brx (0 < x < 4) ; _journal_name_full 'Comptes Rendus Chimie' _journal_page_first 525 _journal_page_last 528 _journal_volume 5 _journal_year 2002 _chemical_formula_sum 'Br3.06 Cl0.94 K2 Pd' _chemical_name_systematic 'K2 (Pd (Br3.06 Cl0.94))' _space_group_IT_number 123 _symmetry_space_group_name_Hall '-P 4 2' _symmetry_space_group_name_H-M 'P 4/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 7.34 _cell_length_b 7.34 _cell_length_c 4.275 _cell_volume 230.318 _citation_journal_id_ASTM CRCOCR _cod_data_source_file Welter_CRCOCR_2002_268.cif _cod_data_source_block Br3.06Cl0.94K2Pd1 _cod_original_cell_volume 230.3182 _cod_original_formula_sum 'Br3.06 Cl0.94 K2 Pd1' _cod_database_code 1532715 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,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z -y,-x,z x,-y,z y,x,z 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 K1 K+1 0 0.5 0.5 1 0.0 Br1 Br-1 0.2333 0.2333 0 0.76 0.0 Pd1 Pd+2 0 0 0 1 0.0 Cl1 Cl-1 0.2333 0.2333 0 0.24 0.0