The crystal structure described by Na3N is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Na(2) and six equivalent N(1) atoms. In the second Na site, Na(2) is bonded to four equivalent Na(1) and four equivalent N(1) atoms to form a mixture of corner, face, and edge-sharing NaNa4N4 tetrahedra. N(1) is bonded in a body-centered cubic geometry to six equivalent Na(1) and eight equivalent Na(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.450
_cell_length_b   4.450
_cell_length_c   4.450
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   62.308
_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  0.500  0.500  0.500  1.0
  Na  Na1  1  0.250  0.250  0.250  1.0
  Na  Na2  1  0.750  0.750  0.750  1.0
  N  N3  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Na3N is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Na(2) and six equivalent N(1) atoms. In the second Na site, Na(2) is bonded to four equivalent Na(1) and four equivalent N(1) atoms to form a mixture of corner, face, and edge-sharing NaNa4N4 tetrahedra. N(1) is bonded in a body-centered cubic geometry to six equivalent Na(1) and eight equivalent Na(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.450
_cell_length_b   4.450
_cell_length_c   4.450
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   62.308
_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  0.500  0.500  0.500  1.0
  Na  Na1  1  0.250  0.250  0.250  1.0
  Na  Na2  1  0.750  0.750  0.750  1.0
  N  N3  1  0.000  0.000  0.000  1.0
[/CIF]
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