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#$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $
#$Revision: 301772 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/10/1011079.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_1011079
loop_
_publ_author_name
'West, C. D.'
_publ_section_title
;
 The crystal structure of rhombic ammonium nitrate
;
_journal_coden_ASTM              JACSAT
_journal_issue                   6
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2256
_journal_page_last               2260
_journal_paper_doi               10.1021/ja01345a013
_journal_volume                  54
_journal_year                    1932
_chemical_formula_structural     '(N H4) (N O3)'
_chemical_formula_sum            'H4 N2 O3'
_chemical_name_mineral           Nitrammite
_chemical_name_systematic        'Ammonium nitrate - phase IV'
_space_group_IT_number           59
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2bc 2 -1bc'
_symmetry_space_group_name_H-M   'P n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.928
_cell_length_b                   5.438
_cell_length_c                   5.732
_cell_volume                     153.6
_exptl_crystal_density_meas      1.73
_cod_original_sg_symbol_H-M      'P n m m S'
_cod_database_code               1011079
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
-x,1/2-y,1/2-z
-x,1/2+y,1/2-z
x,y,-z
x,-y,z
-x,1/2+y,1/2+z
-x,1/2-y,1/2+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- 2 b 0.097 0.5 0. 1. 4 d
N2 N5+ 2 a 0.5 0. 0. 1. 0 d
O1 O2- 2 a 0.75 0. 0. 1. 0 d
O2 O2- 4 e 0.375 0. 0.183 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
N3- -3.000
N5+ 5.000
O2- -2.000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 22985
