The compound described by Na3ScN2 crystallizes in the cubic Ia-3 space group. Na(1) is bonded in a 4-coordinate geometry to one N(1) and three equivalent N(2) atoms. Sc(1) is bonded to one N(1) and three equivalent N(2) atoms to form corner-sharing ScN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted hexagonal bipyramidal geometry to six equivalent Na(1) and two equivalent Sc(1) atoms. In the second N site, N(2) is bonded in a 8-coordinate geometry to six equivalent Na(1) and two equivalent Sc(1) atoms. is represented by the CIF card [CIF]
data_Na3ScN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.718
_cell_length_b   11.221
_cell_length_c   11.221
_cell_angle_alpha   90.000
_cell_angle_beta   125.264
_cell_angle_gamma   54.736
_symmetry_Int_Tables_number   1
_cell_volume   706.498
_cell_formula_units_Z   8
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  0.206  0.055  0.973  1.0
  Na  Na1  1  0.794  0.761  0.527  1.0
  Na  Na2  1  0.794  0.445  0.767  1.0
  Na  Na3  1  0.206  0.739  0.733  1.0
  Na  Na4  1  0.260  0.767  0.288  1.0
  Na  Na5  1  0.740  0.733  0.028  1.0
  Na  Na6  1  0.260  0.973  0.472  1.0
  Na  Na7  1  0.740  0.527  0.212  1.0
  Na  Na8  1  0.684  0.028  0.739  1.0
  Na  Na9  1  0.684  0.288  0.445  1.0
  Na  Na10  1  0.316  0.212  0.761  1.0
  Na  Na11  1  0.316  0.472  0.055  1.0
  Na  Na12  1  0.794  0.945  0.027  1.0
  Na  Na13  1  0.206  0.239  0.473  1.0
  Na  Na14  1  0.206  0.555  0.233  1.0
  Na  Na15  1  0.794  0.261  0.267  1.0
  Na  Na16  1  0.740  0.233  0.712  1.0
  Na  Na17  1  0.260  0.267  0.972  1.0
  Na  Na18  1  0.740  0.027  0.528  1.0
  Na  Na19  1  0.260  0.473  0.788  1.0
  Na  Na20  1  0.316  0.972  0.261  1.0
  Na  Na21  1  0.316  0.712  0.555  1.0
  Na  Na22  1  0.684  0.788  0.239  1.0
  Na  Na23  1  0.684  0.528  0.945  1.0
  Sc  Sc24  1  0.222  0.000  0.722  1.0
  Sc  Sc25  1  0.778  0.722  0.778  1.0
  Sc  Sc26  1  0.778  0.500  0.500  1.0
  Sc  Sc27  1  0.222  0.778  0.000  1.0
  Sc  Sc28  1  0.778  0.000  0.278  1.0
  Sc  Sc29  1  0.222  0.278  0.222  1.0
  Sc  Sc30  1  0.222  0.500  0.500  1.0
  Sc  Sc31  1  0.778  0.222  0.000  1.0
  N  N32  1  0.000  0.000  0.500  1.0
  N  N33  1  0.000  0.500  0.000  1.0
  N  N34  1  0.000  0.500  0.500  1.0
  N  N35  1  0.000  0.000  0.000  1.0
  N  N36  1  0.500  0.945  0.750  1.0
  N  N37  1  0.500  0.555  0.250  1.0
  N  N38  1  0.000  0.250  0.695  1.0
  N  N39  1  0.000  0.750  0.805  1.0
  N  N40  1  0.611  0.695  0.555  1.0
  N  N41  1  0.389  0.805  0.945  1.0
  N  N42  1  0.500  0.055  0.250  1.0
  N  N43  1  0.500  0.445  0.750  1.0
  N  N44  1  0.000  0.750  0.305  1.0
  N  N45  1  0.000  0.250  0.195  1.0
  N  N46  1  0.389  0.305  0.445  1.0
  N  N47  1  0.611  0.195  0.055  1.0
[/CIF]
.
The compound described by Na3ScN2 crystallizes in the cubic Ia-3 space group. Na(1) is bonded in a 4-coordinate geometry to one N(1) and three equivalent N(2) atoms. Sc(1) is bonded to one N(1) and three equivalent N(2) atoms to form corner-sharing ScN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted hexagonal bipyramidal geometry to six equivalent Na(1) and two equivalent Sc(1) atoms. In the second N site, N(2) is bonded in a 8-coordinate geometry to six equivalent Na(1) and two equivalent Sc(1) atoms. is represented by the CIF card [CIF]
data_Na3ScN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.718
_cell_length_b   11.221
_cell_length_c   11.221
_cell_angle_alpha   90.000
_cell_angle_beta   125.264
_cell_angle_gamma   54.736
_symmetry_Int_Tables_number   1
_cell_volume   706.498
_cell_formula_units_Z   8
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  0.206  0.055  0.973  1.0
  Na  Na1  1  0.794  0.761  0.527  1.0
  Na  Na2  1  0.794  0.445  0.767  1.0
  Na  Na3  1  0.206  0.739  0.733  1.0
  Na  Na4  1  0.260  0.767  0.288  1.0
  Na  Na5  1  0.740  0.733  0.028  1.0
  Na  Na6  1  0.260  0.973  0.472  1.0
  Na  Na7  1  0.740  0.527  0.212  1.0
  Na  Na8  1  0.684  0.028  0.739  1.0
  Na  Na9  1  0.684  0.288  0.445  1.0
  Na  Na10  1  0.316  0.212  0.761  1.0
  Na  Na11  1  0.316  0.472  0.055  1.0
  Na  Na12  1  0.794  0.945  0.027  1.0
  Na  Na13  1  0.206  0.239  0.473  1.0
  Na  Na14  1  0.206  0.555  0.233  1.0
  Na  Na15  1  0.794  0.261  0.267  1.0
  Na  Na16  1  0.740  0.233  0.712  1.0
  Na  Na17  1  0.260  0.267  0.972  1.0
  Na  Na18  1  0.740  0.027  0.528  1.0
  Na  Na19  1  0.260  0.473  0.788  1.0
  Na  Na20  1  0.316  0.972  0.261  1.0
  Na  Na21  1  0.316  0.712  0.555  1.0
  Na  Na22  1  0.684  0.788  0.239  1.0
  Na  Na23  1  0.684  0.528  0.945  1.0
  Sc  Sc24  1  0.222  0.000  0.722  1.0
  Sc  Sc25  1  0.778  0.722  0.778  1.0
  Sc  Sc26  1  0.778  0.500  0.500  1.0
  Sc  Sc27  1  0.222  0.778  0.000  1.0
  Sc  Sc28  1  0.778  0.000  0.278  1.0
  Sc  Sc29  1  0.222  0.278  0.222  1.0
  Sc  Sc30  1  0.222  0.500  0.500  1.0
  Sc  Sc31  1  0.778  0.222  0.000  1.0
  N  N32  1  0.000  0.000  0.500  1.0
  N  N33  1  0.000  0.500  0.000  1.0
  N  N34  1  0.000  0.500  0.500  1.0
  N  N35  1  0.000  0.000  0.000  1.0
  N  N36  1  0.500  0.945  0.750  1.0
  N  N37  1  0.500  0.555  0.250  1.0
  N  N38  1  0.000  0.250  0.695  1.0
  N  N39  1  0.000  0.750  0.805  1.0
  N  N40  1  0.611  0.695  0.555  1.0
  N  N41  1  0.389  0.805  0.945  1.0
  N  N42  1  0.500  0.055  0.250  1.0
  N  N43  1  0.500  0.445  0.750  1.0
  N  N44  1  0.000  0.750  0.305  1.0
  N  N45  1  0.000  0.250  0.195  1.0
  N  N46  1  0.389  0.305  0.445  1.0
  N  N47  1  0.611  0.195  0.055  1.0
[/CIF]
.