#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/06/1010628.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_1010628
_chemical_name_systematic          'Silver sulfate tetrammonia'
_chemical_formula_structural       'Ag2 S O4 (N H3)4'
_chemical_formula_sum            'Ag2 H12 N4 O4 S'
_[local]_cod_chemical_formula_sum_orig 'H12 Ag2 N4 O4 S'
_publ_section_title
;
The crystal structure of silver sulfate tetrammoniate
;
loop_
_publ_author_name
  'Corey, R B'
  'Wyckoff, R W G'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    87
_journal_year                      1934
_journal_page_first                264
_journal_page_last                 274
_cell_length_a                     8.43
_cell_length_b                     8.43
_cell_length_c                     6.35
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       451.3
_cell_formula_units_Z              2
_exptl_crystal_density_meas        2.77
_symmetry_space_group_name_H-M     'P -4 21 c'
_symmetry_Int_Tables_number        114
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2+x,1/2-y,1/2-z'
  '-y,x,-z'
  '1/2-y,1/2-x,1/2+z'
  'y,-x,-z'
  '1/2+y,1/2+x,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ag1+   1.000
  S6+    6.000
  O2-   -2.000
  N3-   -3.000
  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+   4 d 0. 0.5 0.5 1.  0 d
  S1    S6+    2 a 0. 0. 0. 1.  0 d
  O1    O2-    8 e 0.14 0.07 0.15 1.  0 d
  N1    N3-    8 e 0.1 0.3 0.5 1.  3 d
  H1    H1+    8 e -1. -1. -1. 3.  0 dum
_cod_database_code 1010628