#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010247.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_1010247
_chemical_name_systematic          'Ammonium $-mue-peroxo-bis(trioxosulfate)'
_chemical_formula_structural       '(N H4)2 S2 O8'
_chemical_formula_sum              'H8 N2 O8 S2'
_publ_section_title
;
The Atomic Arrangement in Ammonium and Caesium Persulphate (N H~4~)~2~
S~2~ O~8~ and Cs~2~ S~2~ O~8~, and the Structure of the Persulphate
Group.
;
loop_
_publ_author_name
  'Zachariasen, W H'
  'Mooney, R C L'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    88
_journal_year                      1934
_journal_page_first                63
_journal_page_last                 81
_cell_length_a                     7.83(4)
_cell_length_b                     8.04(4)
_cell_length_c                     6.13(4)
_cell_angle_alpha                  90
_cell_angle_beta                   95.15
_cell_angle_gamma                  90
_cell_volume                       384.3
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 1 21/n 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
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'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  N3-   -3.000
  S6+    6.000
  O1-   -1.000
  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
  N1    N3-    4 e 0.144(14) 0.125(14) 0.250(14) 1.  4 d
  S1    S6+    4 e 0.136(6) 0.350(6) 0.708(6) 1.  0 d
  O1    O1-    4 e 0.042(14) 0.500(14) 0.611(14) 1.  0 d
  O2    O2-    4 e 0.028(14) 0.194(14) 0.681(14) 1.  0 d
  O3    O2-    4 e 0.208(14) 0.417(14) 0.931(14) 1.  0 d
  O4    O2-    4 e 0.292(14) 0.347(14) 0.597(14) 1.  0 d
  H1    H1+    4 e -1. -1. -1. 4.  0 dum