#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/00/1010098.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_1010098
_chemical_name_systematic          'AMMONIUM TRIHYDROGENHEXAOXOIODATE(VII)'
_chemical_formula_structural       '(N H4)2 H3 I O6'
_chemical_formula_sum              'H11 I N2 O6'
_publ_section_title
;
The Crystal Structure of Ammonium Trihydrogen Paraperiodate, (N
H~4~)~2~ H~3~ I O~6~
;
loop_
_publ_author_name                  'Helmholz, L'
_journal_name_full                 'Journal of the American Chemical Society'
_journal_coden_ASTM                JACSAT
_journal_volume                    59
_journal_year                      1937
_journal_page_first                2036
_journal_page_last                 2039
_cell_length_a                     6.88(1)
_cell_length_b                     6.88(1)
_cell_length_c                     11.10(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       455.0
_cell_formula_units_Z              3
_exptl_crystal_density_meas        3(50)
_symmetry_space_group_name_H-M     'R -3 HR'
_symmetry_Int_Tables_number        148
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  '1/3+x,2/3+y,1/3+z'
  '2/3+x,1/3+y,2/3+z'
  '1/3-y,2/3+x-y,1/3+z'
  '2/3-y,1/3+x-y,2/3+z'
  '1/3-x+y,2/3-x,1/3+z'
  '2/3-x+y,1/3-x,2/3+z'
  '1/3-x,2/3-y,1/3-z'
  '2/3-x,1/3-y,2/3-z'
  '1/3+y,2/3-x+y,1/3-z'
  '2/3+y,1/3-x+y,2/3-z'
  '1/3+x-y,2/3+x,1/3-z'
  '2/3+x-y,1/3+x,2/3-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  N3-   -3.000
  I7+    7.000
  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-    6 c 0. 0. 0.34(1) 1.  4 d
  I1    I7+    3 a 0. 0. 0. 1.  0 d
  O1    O2-   18 f 0.232(3) 0.216(3) 0.105(5) 1.  0 d
  H1    H1+    3 ? -1. -1. -1. 11.  0 dum
_cod_database_code 1010098