The crystal structure described by Na3N crystallizes in the hexagonal P6_3cm space group. There are four 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 trigonal planar geometry to three equivalent N(1) atoms. In the third Na site, Na(3) is bonded in a distorted trigonal planar geometry to three equivalent N(1) atoms. In the fourth Na site, Na(4) is bonded in a distorted bent 120 degrees geometry to two equivalent N(1) atoms. N(1) is bonded in a 8-coordinate geometry to one Na(1), two equivalent Na(2), two equivalent Na(4), and three equivalent Na(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.724
_cell_length_b   7.728
_cell_length_c   7.798
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.980
_symmetry_Int_Tables_number   1
_cell_volume   403.157
_cell_formula_units_Z   6
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  1.000  0.000  0.205  1.0
  Na  Na1  1  0.000  0.000  0.705  1.0
  Na  Na2  1  0.667  0.333  0.267  1.0
  Na  Na3  1  0.333  0.667  0.267  1.0
  Na  Na4  1  0.333  0.667  0.767  1.0
  Na  Na5  1  0.667  0.333  0.767  1.0
  Na  Na6  1  0.716  0.000  0.923  1.0
  Na  Na7  1  0.284  0.284  0.923  1.0
  Na  Na8  1  1.000  0.716  0.923  1.0
  Na  Na9  1  0.284  0.000  0.423  1.0
  Na  Na10  1  0.716  0.716  0.423  1.0
  Na  Na11  1  0.000  0.284  0.423  1.0
  Na  Na12  1  0.620  0.000  0.565  1.0
  Na  Na13  1  0.380  0.380  0.565  1.0
  Na  Na14  1  1.000  0.620  0.565  1.0
  Na  Na15  1  0.380  0.000  0.065  1.0
  Na  Na16  1  0.620  0.620  0.065  1.0
  Na  Na17  1  0.000  0.380  0.065  1.0
  N  N18  1  0.672  0.000  0.246  1.0
  N  N19  1  0.328  0.328  0.246  1.0
  N  N20  1  0.000  0.672  0.246  1.0
  N  N21  1  0.328  0.000  0.746  1.0
  N  N22  1  0.672  0.672  0.746  1.0
  N  N23  1  1.000  0.328  0.746  1.0
[/CIF]
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The crystal structure described by Na3N crystallizes in the hexagonal P6_3cm space group. There are four 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 trigonal planar geometry to three equivalent N(1) atoms. In the third Na site, Na(3) is bonded in a distorted trigonal planar geometry to three equivalent N(1) atoms. In the fourth Na site, Na(4) is bonded in a distorted bent 120 degrees geometry to two equivalent N(1) atoms. N(1) is bonded in a 8-coordinate geometry to one Na(1), two equivalent Na(2), two equivalent Na(4), and three equivalent Na(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.724
_cell_length_b   7.728
_cell_length_c   7.798
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.980
_symmetry_Int_Tables_number   1
_cell_volume   403.157
_cell_formula_units_Z   6
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  1.000  0.000  0.205  1.0
  Na  Na1  1  0.000  0.000  0.705  1.0
  Na  Na2  1  0.667  0.333  0.267  1.0
  Na  Na3  1  0.333  0.667  0.267  1.0
  Na  Na4  1  0.333  0.667  0.767  1.0
  Na  Na5  1  0.667  0.333  0.767  1.0
  Na  Na6  1  0.716  0.000  0.923  1.0
  Na  Na7  1  0.284  0.284  0.923  1.0
  Na  Na8  1  1.000  0.716  0.923  1.0
  Na  Na9  1  0.284  0.000  0.423  1.0
  Na  Na10  1  0.716  0.716  0.423  1.0
  Na  Na11  1  0.000  0.284  0.423  1.0
  Na  Na12  1  0.620  0.000  0.565  1.0
  Na  Na13  1  0.380  0.380  0.565  1.0
  Na  Na14  1  1.000  0.620  0.565  1.0
  Na  Na15  1  0.380  0.000  0.065  1.0
  Na  Na16  1  0.620  0.620  0.065  1.0
  Na  Na17  1  0.000  0.380  0.065  1.0
  N  N18  1  0.672  0.000  0.246  1.0
  N  N19  1  0.328  0.328  0.246  1.0
  N  N20  1  0.000  0.672  0.246  1.0
  N  N21  1  0.328  0.000  0.746  1.0
  N  N22  1  0.672  0.672  0.746  1.0
  N  N23  1  1.000  0.328  0.746  1.0
[/CIF]
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