The material structure described by NaN3 crystallizes in the trigonal R-3m space group. Na(1) is bonded to six equivalent N(1) atoms to form edge-sharing NaN6 octahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Na(1) and one N(2) atom. In the second N site, N(2) is bonded in a linear geometry to two equivalent N(1) atoms. is represented by the CIF card [CIF]
data_NaN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.491
_cell_length_b   5.491
_cell_length_c   5.491
_cell_angle_alpha   38.147
_cell_angle_beta   38.147
_cell_angle_gamma   38.147
_symmetry_Int_Tables_number   1
_cell_volume   56.704
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Na  Na0  1  0.000  0.000  0.000  1.0
  N  N1  1  0.577  0.577  0.577  1.0
  N  N2  1  0.500  0.500  0.500  1.0
  N  N3  1  0.423  0.423  0.423  1.0
[/CIF]
.
The material structure described by NaN3 crystallizes in the trigonal R-3m space group. Na(1) is bonded to six equivalent N(1) atoms to form edge-sharing NaN6 octahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Na(1) and one N(2) atom. In the second N site, N(2) is bonded in a linear geometry to two equivalent N(1) atoms. is represented by the CIF card [CIF]
data_NaN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.491
_cell_length_b   5.491
_cell_length_c   5.491
_cell_angle_alpha   38.147
_cell_angle_beta   38.147
_cell_angle_gamma   38.147
_symmetry_Int_Tables_number   1
_cell_volume   56.704
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Na  Na0  1  0.000  0.000  0.000  1.0
  N  N1  1  0.577  0.577  0.577  1.0
  N  N2  1  0.500  0.500  0.500  1.0
  N  N3  1  0.423  0.423  0.423  1.0
[/CIF]
.