#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1008465.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_1008465 _chemical_name_systematic 'Dipotassium catena-phosphidoaurate' _chemical_formula_structural 'K2 Au P' _chemical_formula_sum 'Au K2 P' _publ_section_title ; Crystal structure of dipotassium catena-phosphidoaurate ; loop_ _publ_author_name 'Eisenmann, B' 'Klein, J' 'Somer, M' _journal_name_full ; Zeitschrift fuer Kristallographie (149,1979-) ; _journal_coden_ASTM ZEKRDZ _journal_volume 197 _journal_year 1991 _journal_page_first 277 _journal_page_last 278 _cell_length_a 9.787(4) _cell_length_b 7.395(3) _cell_length_c 6.168(2) _cell_angle_alpha 90.(0) _cell_angle_beta 90.(0) _cell_angle_gamma 90.(0) _cell_volume 446.4 _cell_formula_units_Z 4 _symmetry_space_group_name_H-M 'C m c m' _symmetry_Int_Tables_number 63 _symmetry_cell_setting orthorhombic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'x,-y,-z' 'x,y,1/2-z' 'x,-y,1/2+z' '-x,-y,-z' '-x,y,z' '-x,-y,1/2+z' '-x,y,1/2-z' '1/2+x,1/2+y,z' '1/2+x,1/2-y,-z' '1/2+x,1/2+y,1/2-z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2-y,-z' '1/2-x,1/2+y,z' '1/2-x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' loop_ _atom_type_symbol _atom_type_oxidation_number Au1+ 1.000 P3- -3.000 K1+ 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 Au1 Au1+ 4 b 0. 0.5 0. 1. 0 d P1 P3- 4 c 0. 0.25211(60) 0.25 1. 0 d K1 K1+ 8 g 0.32785(30) 0.35486(40) 0.25 1. 0 d _refine_ls_R_factor_all 0.03