#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1010466.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_1010466 _chemical_name_systematic 'Potassium dicyanoargentate' _chemical_formula_structural 'K Ag (C N)2' _chemical_formula_sum 'Ag K N2' _publ_section_title ; The Crystal Structure of Potassium Silver Cyanide ; _publ_author_name 'Hoard, J L' _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_coden_ASTM ZEKGAX _journal_volume 84 _journal_year 1933 _journal_page_first 231 _journal_page_last 255 _cell_length_a 7.384(10) _cell_length_b 7.384(10) _cell_length_c 17.55(2) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 828.7 _cell_formula_units_Z 6 _symmetry_space_group_name_H-M 'P -3 1 c S' _symmetry_Int_Tables_number 163 _symmetry_cell_setting trigonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'y-x,-x,z' '-y,x-y,z' 'x,x-y,-z' '-y,-x,-z' 'y-x,y,-z' '-x,-y,1/2-z' 'x-y,x,1/2-z' 'y,y-x,1/2-z' '-x,y-x,1/2+z' 'y,x,1/2+z' 'x-y,-y,1/2+z' loop_ _atom_type_symbol _atom_type_oxidation_number Ag1+ 1.000 K1+ 1.000 C2+ 2.000 N3- -3.000 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 Ag1 Ag1+ 6 h 0.1667(10) 0.8333(10) 0. 1. 0 d K1 K1+ 2 a 0. 0. 0.25 1. 0 d K2 K1+ 4 f 0.3333 0.6667 0.26 1. 0 d C1 C2+ 12 i 0.295 0.3333 0.109(5) 1. 0 d N1 N3- 12 i 0.365 0.3333 0.167(5) 1. 0 d