The material described by NaN3 crystallizes in the monoclinic C2 space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent N(1) and six equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent N(2) atoms. In the second N site, N(2) is bonded to three equivalent Na(1) and one N(1) atom to form a mixture of distorted edge and corner-sharing NNa3N trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.429
_cell_length_b   3.429
_cell_length_c   4.744
_cell_angle_alpha   72.712
_cell_angle_beta   72.712
_cell_angle_gamma   77.233
_symmetry_Int_Tables_number   1
_cell_volume   50.311
_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  0.963  0.037  0.500  1.0
  N  N1  1  0.021  0.979  0.000  1.0
  N  N2  1  0.230  0.192  0.813  1.0
  N  N3  1  0.808  0.770  0.187  1.0
[/CIF]
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The material described by NaN3 crystallizes in the monoclinic C2 space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent N(1) and six equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent N(2) atoms. In the second N site, N(2) is bonded to three equivalent Na(1) and one N(1) atom to form a mixture of distorted edge and corner-sharing NNa3N trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.429
_cell_length_b   3.429
_cell_length_c   4.744
_cell_angle_alpha   72.712
_cell_angle_beta   72.712
_cell_angle_gamma   77.233
_symmetry_Int_Tables_number   1
_cell_volume   50.311
_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  0.963  0.037  0.500  1.0
  N  N1  1  0.021  0.979  0.000  1.0
  N  N2  1  0.230  0.192  0.813  1.0
  N  N3  1  0.808  0.770  0.187  1.0
[/CIF]
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