#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/11/1011132.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
loop_
_publ_author_name
'Hendricks, S B'
'Posnjak, E'
'Kracek, F C'
_publ_section_title
;
Molecular rotation in the solid state. The variation of the crystal
structure of ammonium nitrate with temperature
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2766
_journal_page_last               2786
_journal_paper_doi               10.1021/ja01346a020
_journal_volume                  54
_journal_year                    1932
_chemical_formula_structural     '(N H4) (N O3)'
_chemical_formula_sum            'H4 N2 O3'
_chemical_name_systematic        'Ammonium nitrate(V) - III'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.06
_cell_length_b                   7.66
_cell_length_c                   5.8
_cell_volume                     313.7
_exptl_crystal_density_meas      1.66
_cod_database_code               1011132
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
N3- -3.000
N5+ 5.000
O2- -2.000
H1+ 1.000