The compound described by Na3N crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. In the second Na site, Na(2) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to two equivalent Na(2) and six equivalent Na(1) atoms to form a mixture of edge and corner-sharing NNa8 hexagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.485
_cell_length_b   4.485
_cell_length_c   4.759
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   82.906
_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  0.667  0.333  0.000  1.0
  Na  Na1  1  0.333  0.667  0.000  1.0
  Na  Na2  1  0.000  0.000  0.500  1.0
  N  N3  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Na3N crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. In the second Na site, Na(2) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to two equivalent Na(2) and six equivalent Na(1) atoms to form a mixture of edge and corner-sharing NNa8 hexagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.485
_cell_length_b   4.485
_cell_length_c   4.759
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   82.906
_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  0.667  0.333  0.000  1.0
  Na  Na1  1  0.333  0.667  0.000  1.0
  Na  Na2  1  0.000  0.000  0.500  1.0
  N  N3  1  0.000  0.000  0.000  1.0
[/CIF]
.