The compound described by Na3N is Cementite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to three equivalent N(1) atoms. In the second Na site, Na(2) is bonded in a distorted trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded in a 9-coordinate geometry to three equivalent Na(1) and six equivalent Na(2) atoms. is represented by the CIF file [CIF]
data_Na3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.065
_cell_length_b   7.190
_cell_length_c   7.705
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   280.567
_cell_formula_units_Z   4
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  0.587  0.530  0.250  1.0
  Na  Na1  1  0.913  0.030  0.250  1.0
  Na  Na2  1  0.413  0.470  0.750  1.0
  Na  Na3  1  0.087  0.970  0.750  1.0
  Na  Na4  1  0.118  0.659  0.066  1.0
  Na  Na5  1  0.382  0.159  0.434  1.0
  Na  Na6  1  0.882  0.341  0.566  1.0
  Na  Na7  1  0.618  0.841  0.934  1.0
  Na  Na8  1  0.882  0.341  0.934  1.0
  Na  Na9  1  0.618  0.841  0.566  1.0
  Na  Na10  1  0.118  0.659  0.434  1.0
  Na  Na11  1  0.382  0.159  0.066  1.0
  N  N12  1  0.441  0.864  0.250  1.0
  N  N13  1  0.059  0.364  0.250  1.0
  N  N14  1  0.559  0.136  0.750  1.0
  N  N15  1  0.941  0.636  0.750  1.0
[/CIF]
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The compound described by Na3N is Cementite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to three equivalent N(1) atoms. In the second Na site, Na(2) is bonded in a distorted trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded in a 9-coordinate geometry to three equivalent Na(1) and six equivalent Na(2) atoms. is represented by the CIF file [CIF]
data_Na3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.065
_cell_length_b   7.190
_cell_length_c   7.705
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   280.567
_cell_formula_units_Z   4
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  0.587  0.530  0.250  1.0
  Na  Na1  1  0.913  0.030  0.250  1.0
  Na  Na2  1  0.413  0.470  0.750  1.0
  Na  Na3  1  0.087  0.970  0.750  1.0
  Na  Na4  1  0.118  0.659  0.066  1.0
  Na  Na5  1  0.382  0.159  0.434  1.0
  Na  Na6  1  0.882  0.341  0.566  1.0
  Na  Na7  1  0.618  0.841  0.934  1.0
  Na  Na8  1  0.882  0.341  0.934  1.0
  Na  Na9  1  0.618  0.841  0.566  1.0
  Na  Na10  1  0.118  0.659  0.434  1.0
  Na  Na11  1  0.382  0.159  0.066  1.0
  N  N12  1  0.441  0.864  0.250  1.0
  N  N13  1  0.059  0.364  0.250  1.0
  N  N14  1  0.559  0.136  0.750  1.0
  N  N15  1  0.941  0.636  0.750  1.0
[/CIF]
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