#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1010270.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 _chemical_name_systematic 'Silver diamminetetranitrocobaltate' _chemical_formula_structural 'Ag (Co (N H3)2 (N O2)4)' _chemical_formula_sum 'H6 Ag Co N6 O8' _publ_section_title ; The Crystal Structure of Silver Diammino-Tetranitro- cobaltiate (Ag (Co (N H~3~)~2~ (N O~2~)~4~)) ; _publ_author_name 'Wells, A F' _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_coden_ASTM ZEKGAX _journal_volume 95 _journal_year 1936 _journal_page_first 74 _journal_page_last 82 _cell_length_a 6.97 _cell_length_b 6.97 _cell_length_c 10.43 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 506.7 _cell_formula_units_Z 2 _exptl_crystal_density_meas 2.54 _symmetry_space_group_name_H-M 'P 4/n n c S' _symmetry_Int_Tables_number 126 _symmetry_cell_setting tetragonal 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_type_symbol _atom_type_oxidation_number Ag1+ 1.000 Co3+ 3.000 N3- -3.000 N3+ 3.000 O2- -2.000 H1+ 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 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 H1 H1+ 4 e -1. -1. -1. 3. 0 dum