#------------------------------------------------------------------------------
#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/00/1010088.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_1010088
_chemical_name_systematic          'Sodium azide'
_chemical_formula_structural       'NA N3'
_chemical_formula_sum              'N3 Na'
_publ_section_title
;
The Crystal Structures of Sodium and Potassium Trinitrides and
Potassium Cyanate and the Nature of the Trinitride Group
;
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_[local]_cod_cif_authors_sg_H-M  'R -3 m R'
loop_
_publ_author_name
  'Hendricks, S B'
  'Pauling, L'
_journal_name_full                 'Journal of the American Chemical Society'
_journal_coden_ASTM                JACSAT
_journal_volume                    47
_journal_year                      1925
_journal_page_first                2904
_journal_page_last                 2920
_cell_length_a                     5.481
_cell_length_b                     5.481
_cell_length_c                     5.481
_cell_angle_alpha                  38.72
_cell_angle_beta                   38.72
_cell_angle_gamma                  38.72
_cell_volume                       57.9
_cell_formula_units_Z              1
_exptl_crystal_density_meas        1.85
_symmetry_cell_setting             trigonal
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_type_symbol
_atom_type_oxidation_number
  Na1+   1.000
  N1+    1.000
  N1-   -1.000
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    N1+    1 b 0.5 0.5 0.5 1.  0 d
  N2    N1-    2 c 0.423 0.423 0.423 1.  0 d
_cod_database_code 1010088
_journal_paper_doi 10.1021/ja01689a008