The structure described by NaTa3N5 crystallizes in the orthorhombic Cmcm space group. Na(1) is bonded in a 7-coordinate geometry to one N(3), two equivalent N(1), and four equivalent N(2) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one N(3), two equivalent N(2), and three equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing TaN6 octahedra. The corner-sharing octahedral tilt angles range from 17-58°. In the second Ta site, Ta(2) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form a mixture of distorted corner and edge-sharing TaN6 octahedra. The corner-sharing octahedral tilt angles range from 17-25°. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Na(1), one Ta(2), and three equivalent Ta(1) atoms to form NNaTa4 trigonal bipyramids that share corners with two equivalent N(1)NaTa4 trigonal bipyramids, corners with two equivalent N(3)NaTa4 trigonal bipyramids, corners with six equivalent N(2)Na2Ta3 trigonal bipyramids, edges with two equivalent N(3)NaTa4 trigonal bipyramids, edges with three equivalent N(2)Na2Ta3 trigonal bipyramids, and edges with three equivalent N(1)NaTa4 trigonal bipyramids. In the second N site, N(2) is bonded to two equivalent Na(1), one Ta(2), and two equivalent Ta(1) atoms to form NNa2Ta3 trigonal bipyramids that share corners with two equivalent N(3)NaTa4 trigonal bipyramids, corners with four equivalent N(2)Na2Ta3 trigonal bipyramids, corners with six equivalent N(1)NaTa4 trigonal bipyramids,  an edgeedge with one N(2)Na2Ta3 trigonal bipyramid, edges with two equivalent N(3)NaTa4 trigonal bipyramids, edges with three equivalent N(1)NaTa4 trigonal bipyramids, and  a faceface with one N(2)Na2Ta3 trigonal bipyramid. In the third N site, N(3) is bonded to one Na(1), two equivalent Ta(1), and two equivalent Ta(2) atoms to form distorted NNaTa4 trigonal bipyramids that share corners with two equivalent N(3)NaTa4 trigonal bipyramids, corners with four equivalent N(2)Na2Ta3 trigonal bipyramids, corners with four equivalent N(1)NaTa4 trigonal bipyramids, edges with four equivalent N(2)Na2Ta3 trigonal bipyramids, and edges with four equivalent N(1)NaTa4 trigonal bipyramids. is represented by the CIF card [CIF]
data_NaTa3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.514
_cell_length_b   5.514
_cell_length_c   10.424
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   137.027
_symmetry_Int_Tables_number   1
_cell_volume   216.027
_cell_formula_units_Z   2
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  0.504  0.496  0.750  1.0
  Na  Na1  1  0.496  0.504  0.250  1.0
  Ta  Ta2  1  0.140  0.860  0.547  1.0
  Ta  Ta3  1  0.797  0.203  0.750  1.0
  Ta  Ta4  1  0.860  0.140  0.047  1.0
  Ta  Ta5  1  0.860  0.140  0.453  1.0
  Ta  Ta6  1  0.203  0.797  0.250  1.0
  Ta  Ta7  1  0.140  0.860  0.953  1.0
  N  N8  1  0.321  0.679  0.079  1.0
  N  N9  1  0.955  0.045  0.879  1.0
  N  N10  1  0.955  0.045  0.621  1.0
  N  N11  1  0.045  0.955  0.379  1.0
  N  N12  1  0.321  0.679  0.421  1.0
  N  N13  1  0.253  0.747  0.750  1.0
  N  N14  1  0.679  0.321  0.579  1.0
  N  N15  1  0.747  0.253  0.250  1.0
  N  N16  1  0.045  0.955  0.121  1.0
  N  N17  1  0.679  0.321  0.921  1.0
[/CIF]
.
The structure described by NaTa3N5 crystallizes in the orthorhombic Cmcm space group. Na(1) is bonded in a 7-coordinate geometry to one N(3), two equivalent N(1), and four equivalent N(2) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one N(3), two equivalent N(2), and three equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing TaN6 octahedra. The corner-sharing octahedral tilt angles range from 17-58°. In the second Ta site, Ta(2) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form a mixture of distorted corner and edge-sharing TaN6 octahedra. The corner-sharing octahedral tilt angles range from 17-25°. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Na(1), one Ta(2), and three equivalent Ta(1) atoms to form NNaTa4 trigonal bipyramids that share corners with two equivalent N(1)NaTa4 trigonal bipyramids, corners with two equivalent N(3)NaTa4 trigonal bipyramids, corners with six equivalent N(2)Na2Ta3 trigonal bipyramids, edges with two equivalent N(3)NaTa4 trigonal bipyramids, edges with three equivalent N(2)Na2Ta3 trigonal bipyramids, and edges with three equivalent N(1)NaTa4 trigonal bipyramids. In the second N site, N(2) is bonded to two equivalent Na(1), one Ta(2), and two equivalent Ta(1) atoms to form NNa2Ta3 trigonal bipyramids that share corners with two equivalent N(3)NaTa4 trigonal bipyramids, corners with four equivalent N(2)Na2Ta3 trigonal bipyramids, corners with six equivalent N(1)NaTa4 trigonal bipyramids,  an edgeedge with one N(2)Na2Ta3 trigonal bipyramid, edges with two equivalent N(3)NaTa4 trigonal bipyramids, edges with three equivalent N(1)NaTa4 trigonal bipyramids, and  a faceface with one N(2)Na2Ta3 trigonal bipyramid. In the third N site, N(3) is bonded to one Na(1), two equivalent Ta(1), and two equivalent Ta(2) atoms to form distorted NNaTa4 trigonal bipyramids that share corners with two equivalent N(3)NaTa4 trigonal bipyramids, corners with four equivalent N(2)Na2Ta3 trigonal bipyramids, corners with four equivalent N(1)NaTa4 trigonal bipyramids, edges with four equivalent N(2)Na2Ta3 trigonal bipyramids, and edges with four equivalent N(1)NaTa4 trigonal bipyramids. is represented by the CIF card [CIF]
data_NaTa3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.514
_cell_length_b   5.514
_cell_length_c   10.424
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   137.027
_symmetry_Int_Tables_number   1
_cell_volume   216.027
_cell_formula_units_Z   2
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  0.504  0.496  0.750  1.0
  Na  Na1  1  0.496  0.504  0.250  1.0
  Ta  Ta2  1  0.140  0.860  0.547  1.0
  Ta  Ta3  1  0.797  0.203  0.750  1.0
  Ta  Ta4  1  0.860  0.140  0.047  1.0
  Ta  Ta5  1  0.860  0.140  0.453  1.0
  Ta  Ta6  1  0.203  0.797  0.250  1.0
  Ta  Ta7  1  0.140  0.860  0.953  1.0
  N  N8  1  0.321  0.679  0.079  1.0
  N  N9  1  0.955  0.045  0.879  1.0
  N  N10  1  0.955  0.045  0.621  1.0
  N  N11  1  0.045  0.955  0.379  1.0
  N  N12  1  0.321  0.679  0.421  1.0
  N  N13  1  0.253  0.747  0.750  1.0
  N  N14  1  0.679  0.321  0.579  1.0
  N  N15  1  0.747  0.253  0.250  1.0
  N  N16  1  0.045  0.955  0.121  1.0
  N  N17  1  0.679  0.321  0.921  1.0
[/CIF]
.