#------------------------------------------------------------------------------
#$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $
#$Revision: 301772 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/04/1010490.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_1010490
loop_
_publ_author_name
'Mark, H'
'Pohland, E'
_publ_section_title              'Das Gitter des Ammoniaks.'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              532
_journal_page_last               537
_journal_volume                  61
_journal_year                    1925
_chemical_formula_structural     'N H3'
_chemical_formula_sum            'H3 N'
_chemical_name_systematic        Ammonia
_space_group_IT_number           198
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.193
_cell_length_b                   5.193
_cell_length_c                   5.193
_cell_volume                     140.0
_exptl_crystal_density_meas      0.8
_cod_database_code               1010490
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,z,x
z,x,y
1/2+x,1/2-y,-z
1/2+y,1/2-z,-x
1/2+z,1/2-x,-y
-x,1/2+y,1/2-z
-y,1/2+z,1/2-x
-z,1/2+x,1/2-y
1/2-x,-y,1/2+z
1/2-y,-z,1/2+x
1/2-z,-x,1/2+y
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 a 0.22 0.22 0.22 1. 3 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
N3- -3.000
H1+ 1.000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 222
