#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$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            'Ag Co H6 N6 O8'
_[local]_cod_chemical_formula_sum_orig '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~))
;
_space_group_IT_number           126
_symmetry_space_group_name_Hall  'P 4 2 -1n'
_symmetry_space_group_name_H-M   'P 4/n n c :1'
_[local]_cod_cif_authors_sg_H-M  'P 4/n n c S'
loop_
_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_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
_cod_database_code 1010270