The compound described by NaN3 crystallizes in the trigonal R3m space group. Na(1) is bonded to three equivalent N(1) and three equivalent N(3) atoms to form edge-sharing NaN6 octahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Na(1) and one N(2) atom to form a mixture of distorted corner and edge-sharing NNa3N trigonal pyramids. In the second N site, N(2) is bonded in a linear geometry to one N(1) and one N(3) atom. In the third N site, N(3) is bonded to three equivalent Na(1) and one N(2) atom to form a mixture of distorted corner and edge-sharing NNa3N tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.440
_cell_length_b   5.440
_cell_length_c   5.440
_cell_angle_alpha   40.787
_cell_angle_beta   40.787
_cell_angle_gamma   40.787
_symmetry_Int_Tables_number   1
_cell_volume   62.001
_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  0.424  0.424  0.424  1.0
  N  N2  1  0.504  0.504  0.504  1.0
  N  N3  1  0.583  0.583  0.583  1.0
[/CIF]
.
The compound described by NaN3 crystallizes in the trigonal R3m space group. Na(1) is bonded to three equivalent N(1) and three equivalent N(3) atoms to form edge-sharing NaN6 octahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Na(1) and one N(2) atom to form a mixture of distorted corner and edge-sharing NNa3N trigonal pyramids. In the second N site, N(2) is bonded in a linear geometry to one N(1) and one N(3) atom. In the third N site, N(3) is bonded to three equivalent Na(1) and one N(2) atom to form a mixture of distorted corner and edge-sharing NNa3N tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.440
_cell_length_b   5.440
_cell_length_c   5.440
_cell_angle_alpha   40.787
_cell_angle_beta   40.787
_cell_angle_gamma   40.787
_symmetry_Int_Tables_number   1
_cell_volume   62.001
_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  0.424  0.424  0.424  1.0
  N  N2  1  0.504  0.504  0.504  1.0
  N  N3  1  0.583  0.583  0.583  1.0
[/CIF]
.