#------------------------------------------------------------------------------
#$Date: 2025-11-11 14:38:47 +0100 (Tue 11 de Nov de 2025) $
#$Revision: 303247 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/41/9014134.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9014134
loop_
_publ_author_name
'Mark, H.'
'Pohland, E.'
_publ_section_title
;
 Das Gitter des Ammoniaks.
 _cod_database_code 1010490
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              532
_journal_page_last               537
_journal_volume                  61
_journal_year                    1925
_chemical_formula_sum            'H3 N'
_space_group_IT_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                     140.041
_database_code_amcsd             0017406
_exptl_crystal_density_diffrn    0.664
_cod_duplicate_entry             1010490
_cod_original_formula_sum        N
_cod_database_code               9014134
_amcsd_formula_title             'H3 N'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-z,-x,1/2+y
-z,1/2+x,1/2-y
1/2+z,1/2-x,-y
z,x,y
1/2+y,1/2-z,-x
1/2-y,-z,1/2+x
-y,1/2+z,1/2-x
y,z,x
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
N1 N 0.22000 0.22000 0.22000 3
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Quir\'os, Miguel' 2024-05-23T12:45:01+03:00
;
 Formula fixed to be consistent with atom list and title.
;
2 'Vaitkus, Antanas' 2024-12-10T17:55:23+02:00
;
 Added the '_atom_site_type_symbol' data item.
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017406
