#------------------------------------------------------------------------------
#$Date: 2025-08-18 15:29:48 +0300 (Mon, 18 Aug 2025) $
#$Revision: 301772 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/03/1010392.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_1010392
loop_
_publ_author_name
'Frevel, L K'
_publ_section_title              'The Configuration of the Azide Ion'
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              779
_journal_page_last               782
_journal_paper_doi               10.1021/ja01296a028
_journal_volume                  58
_journal_year                    1936
_chemical_formula_structural     'Na N3'
_chemical_formula_sum            'N3 Na'
_chemical_name_systematic        'Sodium azide'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                38.72
_cell_angle_beta                 38.72
_cell_angle_gamma                38.72
_cell_formula_units_Z            1
_cell_length_a                   5.481
_cell_length_b                   5.481
_cell_length_c                   5.481
_cell_volume                     57.9
_cod_original_sg_symbol_H-M      'R -3 m R'
_cod_database_code               1010392
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,x,z
y,z,x
x,z,y
z,x,y
z,y,x
-x,-y,-z
-y,-x,-z
-y,-z,-x
-x,-z,-y
-z,-x,-y
-z,-y,-x
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
Na1 Na1+ 1 a 0. 0. 0. 1. 0 d
N1 N0- 1 b 0.5 0.5 0.5 1. 0 d
N2 N0- 2 c 0.4245(10) 0.4245(10) 0.4245(10) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Na1+ 1.000
N0- -0.333
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 33557
