#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/06/1010608.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_1010608 loop_ _publ_author_name 'Wyckoff, R W G' _publ_section_title ; The crystal structure of ammonium hexachloroplumbate ((N H~4~)~2~ Pb Cl~6~) ; _journal_coden_ASTM AJSC5L _journal_name_full ; American Journal of Science, Serie 5(1,1921-1938) ; _journal_page_first 503 _journal_page_last 509 _journal_volume 12 _journal_year 1926 _chemical_formula_structural '(N H4)2 Pb Cl6' _chemical_formula_sum 'Cl6 H8 N2 Pb' _chemical_name_systematic 'Ammonium hexachloroplumbate' _space_group_IT_number 225 _symmetry_cell_setting cubic _symmetry_Int_Tables_number 225 _symmetry_space_group_name_Hall '-F 4 2 3' _symmetry_space_group_name_H-M 'F m -3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 10.14 _cell_length_b 10.14 _cell_length_c 10.14 _cell_volume 1042.6 _cod_original_formula_sum 'H8 Cl6 N2 Pb' _cod_database_code 1010608 loop_ _symmetry_equiv_pos_as_xyz x,y,z y,z,x z,x,y x,z,y y,x,z z,y,x x,-y,-z y,-z,-x z,-x,-y x,-z,-y y,-x,-z z,-y,-x -x,y,-z -y,z,-x -z,x,-y -x,z,-y -y,x,-z -z,y,-x -x,-y,z -y,-z,x -z,-x,y -x,-z,y -y,-x,z -z,-y,x -x,-y,-z -y,-z,-x -z,-x,-y -x,-z,-y -y,-x,-z -z,-y,-x -x,y,z -y,z,x -z,x,y -x,z,y -y,x,z -z,y,x x,-y,z y,-z,x z,-x,y x,-z,y y,-x,z z,-y,x x,y,-z y,z,-x z,x,-y x,z,-y y,x,-z z,y,-x x,1/2+y,1/2+z 1/2+x,y,1/2+z 1/2+x,1/2+y,z y,1/2+z,1/2+x 1/2+y,z,1/2+x 1/2+y,1/2+z,x z,1/2+x,1/2+y 1/2+z,x,1/2+y 1/2+z,1/2+x,y x,1/2+z,1/2+y 1/2+x,z,1/2+y 1/2+x,1/2+z,y y,1/2+x,1/2+z 1/2+y,x,1/2+z 1/2+y,1/2+x,z z,1/2+y,1/2+x 1/2+z,y,1/2+x 1/2+z,1/2+y,x x,1/2-y,1/2-z 1/2+x,-y,1/2-z 1/2+x,1/2-y,-z y,1/2-z,1/2-x 1/2+y,-z,1/2-x 1/2+y,1/2-z,-x z,1/2-x,1/2-y 1/2+z,-x,1/2-y 1/2+z,1/2-x,-y x,1/2-z,1/2-y 1/2+x,-z,1/2-y 1/2+x,1/2-z,-y y,1/2-x,1/2-z 1/2+y,-x,1/2-z 1/2+y,1/2-x,-z z,1/2-y,1/2-x 1/2+z,-y,1/2-x 1/2+z,1/2-y,-x -x,1/2+y,1/2-z 1/2-x,y,1/2-z 1/2-x,1/2+y,-z -y,1/2+z,1/2-x 1/2-y,z,1/2-x 1/2-y,1/2+z,-x -z,1/2+x,1/2-y 1/2-z,x,1/2-y 1/2-z,1/2+x,-y -x,1/2+z,1/2-y 1/2-x,z,1/2-y 1/2-x,1/2+z,-y -y,1/2+x,1/2-z 1/2-y,x,1/2-z 1/2-y,1/2+x,-z -z,1/2+y,1/2-x 1/2-z,y,1/2-x 1/2-z,1/2+y,-x -x,1/2-y,1/2+z 1/2-x,-y,1/2+z 1/2-x,1/2-y,z -y,1/2-z,1/2+x 1/2-y,-z,1/2+x 1/2-y,1/2-z,x -z,1/2-x,1/2+y 1/2-z,-x,1/2+y 1/2-z,1/2-x,y -x,1/2-z,1/2+y 1/2-x,-z,1/2+y 1/2-x,1/2-z,y -y,1/2-x,1/2+z 1/2-y,-x,1/2+z 1/2-y,1/2-x,z -z,1/2-y,1/2+x 1/2-z,-y,1/2+x 1/2-z,1/2-y,x -x,1/2-y,1/2-z 1/2-x,-y,1/2-z 1/2-x,1/2-y,-z -y,1/2-z,1/2-x 1/2-y,-z,1/2-x 1/2-y,1/2-z,-x -z,1/2-x,1/2-y 1/2-z,-x,1/2-y 1/2-z,1/2-x,-y -x,1/2-z,1/2-y 1/2-x,-z,1/2-y 1/2-x,1/2-z,-y -y,1/2-x,1/2-z 1/2-y,-x,1/2-z 1/2-y,1/2-x,-z -z,1/2-y,1/2-x 1/2-z,-y,1/2-x 1/2-z,1/2-y,-x -x,1/2+y,1/2+z 1/2-x,y,1/2+z 1/2-x,1/2+y,z -y,1/2+z,1/2+x 1/2-y,z,1/2+x 1/2-y,1/2+z,x -z,1/2+x,1/2+y 1/2-z,x,1/2+y 1/2-z,1/2+x,y -x,1/2+z,1/2+y 1/2-x,z,1/2+y 1/2-x,1/2+z,y -y,1/2+x,1/2+z 1/2-y,x,1/2+z 1/2-y,1/2+x,z -z,1/2+y,1/2+x 1/2-z,y,1/2+x 1/2-z,1/2+y,x x,1/2-y,1/2+z 1/2+x,-y,1/2+z 1/2+x,1/2-y,z y,1/2-z,1/2+x 1/2+y,-z,1/2+x 1/2+y,1/2-z,x z,1/2-x,1/2+y 1/2+z,-x,1/2+y 1/2+z,1/2-x,y x,1/2-z,1/2+y 1/2+x,-z,1/2+y 1/2+x,1/2-z,y y,1/2-x,1/2+z 1/2+y,-x,1/2+z 1/2+y,1/2-x,z z,1/2-y,1/2+x 1/2+z,-y,1/2+x 1/2+z,1/2-y,x x,1/2+y,1/2-z 1/2+x,y,1/2-z 1/2+x,1/2+y,-z y,1/2+z,1/2-x 1/2+y,z,1/2-x 1/2+y,1/2+z,-x z,1/2+x,1/2-y 1/2+z,x,1/2-y 1/2+z,1/2+x,-y x,1/2+z,1/2-y 1/2+x,z,1/2-y 1/2+x,1/2+z,-y y,1/2+x,1/2-z 1/2+y,x,1/2-z 1/2+y,1/2+x,-z z,1/2+y,1/2-x 1/2+z,y,1/2-x 1/2+z,1/2+y,-x 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 Pb1 Pb4+ 4 b 0. 0. 0. 1. 0 d N1 N3- 8 e 0.25 0.25 0.25 1. 0 d Cl1 Cl1- 24 a 0.25 0. 0. 1. 0 d H1 H1+ 32 a -1. -1. -1. 1. 0 dum loop_ _atom_type_symbol _atom_type_oxidation_number Pb4+ 4.000 N3- -3.000 Cl1- -1.000 H1+ 1.000