#------------------------------------------------------------------------------
#$Date: 2024-06-05 16:01:20 +0200 (Wed 05 de Jun de 2024) $
#$Revision: 292204 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/42/9014232.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_9014232
loop_
_publ_author_name
'Frevel, L.'
_publ_section_title
;
 The Crystal Structure of Ammonium Azide, NH₄N₃
;
_journal_issue                   1-6
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              197
_journal_page_last               211
_journal_paper_doi               10.1524/zkri.1936.94.1.197
_journal_volume                  94
_journal_year                    1936
_chemical_formula_sum            'H4 N4'
_space_group_IT_number           53
_symmetry_space_group_name_Hall  '-P 2ab 2'
_symmetry_space_group_name_H-M   'P m a n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.930
_cell_length_b                   8.642
_cell_length_c                   3.800
_cell_formula_units_Z            4
_cell_volume                     293.258
_database_code_amcsd             0017197
_exptl_crystal_density_diffrn    1.269
_cod_depositor_comments
;

2024-06-04
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            N
_cod_original_formula_units_Z            16
_cod_duplicate_entry             1010271
_cod_database_code               9014232
_amcsd_formula_title             'H4 N4'
loop_
_space_group_symop_operation_xyz
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
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
N1 0.00000 0.00000 0.00000 0
N2 0.50000 0.00000 0.00000 0
N3 0.13100 0.00000 0.00000 0
N4 0.50000 0.12300 0.12000 0
N5 0.25000 0.25000 0.53300 4
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017197
