The material described by Na3TaN2 crystallizes in the cubic Ia-3 space group. Na(1) is bonded in a 1-coordinate geometry to one N(1) and one N(2) atom. Ta(1) is bonded to one N(1) and three equivalent N(2) atoms to form corner-sharing TaN4 trigonal pyramids. 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 Ta(1) atoms. In the second N site, N(2) is bonded in a distorted square co-planar geometry to two equivalent Na(1) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_Na3TaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.008
_cell_length_b   11.556
_cell_length_c   11.556
_cell_angle_alpha   90.000
_cell_angle_beta   125.264
_cell_angle_gamma   54.736
_symmetry_Int_Tables_number   1
_cell_volume   771.645
_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  0.192  0.069  0.967  1.0
  Na  Na1  1  0.808  0.761  0.533  1.0
  Na  Na2  1  0.808  0.431  0.774  1.0
  Na  Na3  1  0.192  0.739  0.726  1.0
  Na  Na4  1  0.259  0.774  0.294  1.0
  Na  Na5  1  0.741  0.726  0.035  1.0
  Na  Na6  1  0.259  0.967  0.465  1.0
  Na  Na7  1  0.741  0.533  0.206  1.0
  Na  Na8  1  0.670  0.035  0.739  1.0
  Na  Na9  1  0.670  0.294  0.431  1.0
  Na  Na10  1  0.330  0.206  0.761  1.0
  Na  Na11  1  0.330  0.465  0.069  1.0
  Na  Na12  1  0.808  0.931  0.033  1.0
  Na  Na13  1  0.192  0.239  0.467  1.0
  Na  Na14  1  0.192  0.569  0.226  1.0
  Na  Na15  1  0.808  0.261  0.274  1.0
  Na  Na16  1  0.741  0.226  0.706  1.0
  Na  Na17  1  0.259  0.274  0.965  1.0
  Na  Na18  1  0.741  0.033  0.535  1.0
  Na  Na19  1  0.259  0.467  0.794  1.0
  Na  Na20  1  0.330  0.965  0.261  1.0
  Na  Na21  1  0.330  0.706  0.569  1.0
  Na  Na22  1  0.670  0.794  0.239  1.0
  Na  Na23  1  0.670  0.535  0.931  1.0
  Ta  Ta24  1  0.198  0.000  0.698  1.0
  Ta  Ta25  1  0.802  0.698  0.802  1.0
  Ta  Ta26  1  0.802  0.500  0.500  1.0
  Ta  Ta27  1  0.198  0.802  0.000  1.0
  Ta  Ta28  1  0.802  0.000  0.302  1.0
  Ta  Ta29  1  0.198  0.302  0.198  1.0
  Ta  Ta30  1  0.198  0.500  0.500  1.0
  Ta  Ta31  1  0.802  0.198  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  0.841  0.750  1.0
  N  N37  1  0.500  0.659  0.250  1.0
  N  N38  1  0.000  0.250  0.591  1.0
  N  N39  1  0.000  0.750  0.909  1.0
  N  N40  1  0.818  0.591  0.659  1.0
  N  N41  1  0.182  0.909  0.841  1.0
  N  N42  1  0.500  0.159  0.250  1.0
  N  N43  1  0.500  0.341  0.750  1.0
  N  N44  1  0.000  0.750  0.409  1.0
  N  N45  1  0.000  0.250  0.091  1.0
  N  N46  1  0.182  0.409  0.341  1.0
  N  N47  1  0.818  0.091  0.159  1.0
[/CIF]
.
The material described by Na3TaN2 crystallizes in the cubic Ia-3 space group. Na(1) is bonded in a 1-coordinate geometry to one N(1) and one N(2) atom. Ta(1) is bonded to one N(1) and three equivalent N(2) atoms to form corner-sharing TaN4 trigonal pyramids. 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 Ta(1) atoms. In the second N site, N(2) is bonded in a distorted square co-planar geometry to two equivalent Na(1) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_Na3TaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.008
_cell_length_b   11.556
_cell_length_c   11.556
_cell_angle_alpha   90.000
_cell_angle_beta   125.264
_cell_angle_gamma   54.736
_symmetry_Int_Tables_number   1
_cell_volume   771.645
_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  0.192  0.069  0.967  1.0
  Na  Na1  1  0.808  0.761  0.533  1.0
  Na  Na2  1  0.808  0.431  0.774  1.0
  Na  Na3  1  0.192  0.739  0.726  1.0
  Na  Na4  1  0.259  0.774  0.294  1.0
  Na  Na5  1  0.741  0.726  0.035  1.0
  Na  Na6  1  0.259  0.967  0.465  1.0
  Na  Na7  1  0.741  0.533  0.206  1.0
  Na  Na8  1  0.670  0.035  0.739  1.0
  Na  Na9  1  0.670  0.294  0.431  1.0
  Na  Na10  1  0.330  0.206  0.761  1.0
  Na  Na11  1  0.330  0.465  0.069  1.0
  Na  Na12  1  0.808  0.931  0.033  1.0
  Na  Na13  1  0.192  0.239  0.467  1.0
  Na  Na14  1  0.192  0.569  0.226  1.0
  Na  Na15  1  0.808  0.261  0.274  1.0
  Na  Na16  1  0.741  0.226  0.706  1.0
  Na  Na17  1  0.259  0.274  0.965  1.0
  Na  Na18  1  0.741  0.033  0.535  1.0
  Na  Na19  1  0.259  0.467  0.794  1.0
  Na  Na20  1  0.330  0.965  0.261  1.0
  Na  Na21  1  0.330  0.706  0.569  1.0
  Na  Na22  1  0.670  0.794  0.239  1.0
  Na  Na23  1  0.670  0.535  0.931  1.0
  Ta  Ta24  1  0.198  0.000  0.698  1.0
  Ta  Ta25  1  0.802  0.698  0.802  1.0
  Ta  Ta26  1  0.802  0.500  0.500  1.0
  Ta  Ta27  1  0.198  0.802  0.000  1.0
  Ta  Ta28  1  0.802  0.000  0.302  1.0
  Ta  Ta29  1  0.198  0.302  0.198  1.0
  Ta  Ta30  1  0.198  0.500  0.500  1.0
  Ta  Ta31  1  0.802  0.198  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  0.841  0.750  1.0
  N  N37  1  0.500  0.659  0.250  1.0
  N  N38  1  0.000  0.250  0.591  1.0
  N  N39  1  0.000  0.750  0.909  1.0
  N  N40  1  0.818  0.591  0.659  1.0
  N  N41  1  0.182  0.909  0.841  1.0
  N  N42  1  0.500  0.159  0.250  1.0
  N  N43  1  0.500  0.341  0.750  1.0
  N  N44  1  0.000  0.750  0.409  1.0
  N  N45  1  0.000  0.250  0.091  1.0
  N  N46  1  0.182  0.409  0.341  1.0
  N  N47  1  0.818  0.091  0.159  1.0
[/CIF]
.