#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/02/1010270.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_1010270 loop_ _publ_author_name 'Wells, A F' _publ_section_title ; The Crystal Structure of Silver Diammino-Tetranitro- cobaltiate (Ag (Co (N H~3~)~2~ (N O~2~)~4~)) ; _journal_coden_ASTM ZEKGAX _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_page_first 74 _journal_page_last 82 _journal_volume 95 _journal_year 1936 _chemical_formula_structural 'Ag (Co (N H3)2 (N O2)4)' _chemical_formula_sum 'Ag Co H6 N6 O8' _chemical_name_systematic 'Silver diamminetetranitrocobaltate' _space_group_IT_number 126 _symmetry_cell_setting tetragonal _symmetry_space_group_name_Hall 'P 4 2 -1n' _symmetry_space_group_name_H-M 'P 4/n n c :1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 6.97 _cell_length_b 6.97 _cell_length_c 10.43 _cell_volume 506.7 _exptl_crystal_density_meas 2.54 _cod_original_sg_symbol_H-M 'P 4/n n c S' _cod_original_formula_sum 'H6 Ag Co N6 O8' _cod_database_code 1010270 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z 1/2+x,1/2+y,1/2-z 1/2-x,1/2-y,1/2-z -x,y,-z x,-y,-z 1/2-x,1/2+y,1/2+z 1/2+x,1/2-y,1/2+z -y,x,z y,-x,z 1/2-y,1/2+x,1/2-z 1/2+y,1/2-x,1/2-z -y,-x,-z y,x,-z 1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z 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+ 2 a 0. 0. 0. 1. 0 d Co1 Co3+ 2 b 0.5 0.5 0. 1. 0 d N1 N3- 4 e 0. 0. 0.22 1. 3 d N2 N3+ 8 h 0.195 0.195 0. 1. 0 d O1 O2- 16 k 0.31 0.22 0.09 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Ag1+ 1.000 Co3+ 3.000 N3- -3.000 N3+ 3.000 O2- -2.000 H1+ 1.000