The crystal structure described by Na3AlN2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a bent 120 degrees geometry to one N(1) and one N(2) atom. In the second Na site, Na(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted edge and corner-sharing NaN4 tetrahedra. In the third Na site, Na(3) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted edge and corner-sharing NaN4 tetrahedra. Al(1) is bonded in a linear geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Na(1), two equivalent Na(2), two equivalent Na(3), and one Al(1) atom. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Na(1), two equivalent Na(2), two equivalent Na(3), and one Al(1) atom. is represented by the CIF file [CIF]
data_Na3AlN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.493
_cell_length_b   8.484
_cell_length_c   8.603
_cell_angle_alpha   90.000
_cell_angle_beta   117.545
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   420.182
_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  0.250  0.001  0.005  1.0
  Na  Na1  1  0.750  0.501  0.495  1.0
  Na  Na2  1  0.750  0.999  0.995  1.0
  Na  Na3  1  0.250  0.499  0.505  1.0
  Na  Na4  1  0.248  0.504  0.879  1.0
  Na  Na5  1  0.752  0.004  0.621  1.0
  Na  Na6  1  0.752  0.496  0.121  1.0
  Na  Na7  1  0.248  0.996  0.379  1.0
  Na  Na8  1  0.750  0.297  0.815  1.0
  Na  Na9  1  0.250  0.797  0.685  1.0
  Na  Na10  1  0.250  0.703  0.185  1.0
  Na  Na11  1  0.750  0.203  0.315  1.0
  Al  Al12  1  0.229  0.182  0.685  1.0
  Al  Al13  1  0.771  0.682  0.815  1.0
  Al  Al14  1  0.771  0.818  0.315  1.0
  Al  Al15  1  0.229  0.318  0.185  1.0
  N  N16  1  0.453  0.054  0.710  1.0
  N  N17  1  0.547  0.554  0.790  1.0
  N  N18  1  0.547  0.946  0.290  1.0
  N  N19  1  0.453  0.446  0.210  1.0
  N  N20  1  0.983  0.290  0.655  1.0
  N  N21  1  0.017  0.790  0.845  1.0
  N  N22  1  0.017  0.710  0.345  1.0
  N  N23  1  0.983  0.210  0.155  1.0
[/CIF]
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The crystal structure described by Na3AlN2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a bent 120 degrees geometry to one N(1) and one N(2) atom. In the second Na site, Na(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted edge and corner-sharing NaN4 tetrahedra. In the third Na site, Na(3) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted edge and corner-sharing NaN4 tetrahedra. Al(1) is bonded in a linear geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Na(1), two equivalent Na(2), two equivalent Na(3), and one Al(1) atom. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Na(1), two equivalent Na(2), two equivalent Na(3), and one Al(1) atom. is represented by the CIF file [CIF]
data_Na3AlN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.493
_cell_length_b   8.484
_cell_length_c   8.603
_cell_angle_alpha   90.000
_cell_angle_beta   117.545
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   420.182
_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  0.250  0.001  0.005  1.0
  Na  Na1  1  0.750  0.501  0.495  1.0
  Na  Na2  1  0.750  0.999  0.995  1.0
  Na  Na3  1  0.250  0.499  0.505  1.0
  Na  Na4  1  0.248  0.504  0.879  1.0
  Na  Na5  1  0.752  0.004  0.621  1.0
  Na  Na6  1  0.752  0.496  0.121  1.0
  Na  Na7  1  0.248  0.996  0.379  1.0
  Na  Na8  1  0.750  0.297  0.815  1.0
  Na  Na9  1  0.250  0.797  0.685  1.0
  Na  Na10  1  0.250  0.703  0.185  1.0
  Na  Na11  1  0.750  0.203  0.315  1.0
  Al  Al12  1  0.229  0.182  0.685  1.0
  Al  Al13  1  0.771  0.682  0.815  1.0
  Al  Al14  1  0.771  0.818  0.315  1.0
  Al  Al15  1  0.229  0.318  0.185  1.0
  N  N16  1  0.453  0.054  0.710  1.0
  N  N17  1  0.547  0.554  0.790  1.0
  N  N18  1  0.547  0.946  0.290  1.0
  N  N19  1  0.453  0.446  0.210  1.0
  N  N20  1  0.983  0.290  0.655  1.0
  N  N21  1  0.017  0.790  0.845  1.0
  N  N22  1  0.017  0.710  0.345  1.0
  N  N23  1  0.983  0.210  0.155  1.0
[/CIF]
.