#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/11/1011133.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_1011133
_chemical_name_systematic          'Ammonium nitrate(V) - IV'
_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
;
_space_group_IT_number           59
_symmetry_space_group_name_Hall  'P 2 2ab -1ab'
_symmetry_space_group_name_H-M   'P m m n :1'
_[local]_cod_cif_authors_sg_H-M  'P m m n S'
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                     5.75
_cell_length_b                     5.45
_cell_length_c                     4.96
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       155.4
_cell_formula_units_Z              2
_exptl_crystal_density_meas        1.72
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2-x,1/2-y,-z'
  '1/2-x,1/2+y,-z'
  '-x,y,z'
  'x,-y,z'
  '1/2+x,1/2+y,-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-    2 b 0. 0.5 0.57 1.  4 d
  N2    N5+    2 a 0. 0. 0.03 1.  0 d
  O1    O2-    2 a 0. 0. 0.28 1.  0 d
  O2    O2-    4 f 0.19 0. -0.095 1.  0 d
  H1    H1+    8 g -1. -1. -1. 1.  0 dum
_cod_database_code 1011133