#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011132.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_1011132
_chemical_name_systematic          'Ammonium nitrate(V) - III'
_chemical_formula_structural       '(N H4) (N O3)'
_chemical_formula_sum              'H4 N2 O3'
_publ_section_title
;
Molecular rotation in the solid state. The variation of the crystal
structure of ammonium nitrate with temperature
;
loop_
_publ_author_name
  'Hendricks, S B'
  'Posnjak, E'
  'Kracek, F C'
_journal_name_full                 'Journal of the American Chemical Society'
_journal_coden_ASTM                JACSAT
_journal_volume                    54
_journal_year                      1932
_journal_page_first                2766
_journal_page_last                 2786
_cell_length_a                     7.06
_cell_length_b                     7.66
_cell_length_c                     5.8
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       313.7
_cell_formula_units_Z              4
_exptl_crystal_density_meas        1.66
_symmetry_space_group_name_H-M     'P b n m'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
  '1/2+x,1/2-y,1/2+z'
  'x,y,1/2-z'
  '1/2-x,1/2+y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  N3-   -3.000
  N5+    5.000
  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 c 0.3 0.52 0.25 1.  4 d
  N2    N5+    4 c -0.09 -0.19 0.25 1.  0 d
  O1    O2-    4 c -0.19 -0.05 0.25 1.  0 d
  O2    O2-    8 d -0.07 -0.27 0.06 1.  0 d
  H1    H1+    8 d -1. -1. -1. 2.  0 dum