The material described by Ta3N5 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 8-coordinate geometry to one N(2), two equivalent N(3), two equivalent N(4), and three equivalent N(1) atoms. In the second Ta site, Ta(2) is bonded in a 8-coordinate geometry to one N(3), two equivalent N(2), two equivalent N(4), and three equivalent N(5) atoms. In the third Ta site, Ta(3) is bonded in a 8-coordinate geometry to one N(2), one N(4), two equivalent N(1), two equivalent N(3), and two equivalent N(5) atoms. There are five inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Ta(3) and three equivalent Ta(1) atoms to form distorted NTa5 trigonal bipyramids that share  a cornercorner with one N(2)Ta4 tetrahedra, corners with two equivalent N(4)Ta5 trigonal bipyramids, corners with two equivalent N(5)Ta5 trigonal bipyramids, corners with six equivalent N(3)Ta5 trigonal bipyramids, edges with two equivalent N(2)Ta4 tetrahedra,  an edgeedge with one N(5)Ta5 trigonal bipyramid, edges with two equivalent N(3)Ta5 trigonal bipyramids, edges with three equivalent N(4)Ta5 trigonal bipyramids, and edges with four equivalent N(1)Ta5 trigonal bipyramids. In the second N site, N(2) is bonded to one Ta(1), one Ta(3), and two equivalent Ta(2) atoms to form distorted NTa4 tetrahedra that share corners with two equivalent N(2)Ta4 tetrahedra,  a cornercorner with one N(1)Ta5 trigonal bipyramid, corners with two equivalent N(3)Ta5 trigonal bipyramids, corners with two equivalent N(5)Ta5 trigonal bipyramids, corners with five equivalent N(4)Ta5 trigonal bipyramids,  an edgeedge with one N(4)Ta5 trigonal bipyramid, edges with two equivalent N(1)Ta5 trigonal bipyramids, edges with two equivalent N(3)Ta5 trigonal bipyramids, and edges with three equivalent N(5)Ta5 trigonal bipyramids. In the third N site, N(3) is bonded to one Ta(2), two equivalent Ta(1), and two equivalent Ta(3) atoms to form distorted NTa5 trigonal bipyramids that share corners with two equivalent N(2)Ta4 tetrahedra, corners with two equivalent N(4)Ta5 trigonal bipyramids, corners with five equivalent N(5)Ta5 trigonal bipyramids, corners with six equivalent N(1)Ta5 trigonal bipyramids, edges with two equivalent N(2)Ta4 tetrahedra,  an edgeedge with one N(5)Ta5 trigonal bipyramid, edges with two equivalent N(1)Ta5 trigonal bipyramids, edges with two equivalent N(3)Ta5 trigonal bipyramids, and edges with three equivalent N(4)Ta5 trigonal bipyramids. In the fourth N site, N(4) is bonded to one Ta(3), two equivalent Ta(1), and two equivalent Ta(2) atoms to form distorted NTa5 trigonal bipyramids that share corners with five equivalent N(2)Ta4 tetrahedra, corners with two equivalent N(1)Ta5 trigonal bipyramids, corners with two equivalent N(3)Ta5 trigonal bipyramids, corners with six equivalent N(5)Ta5 trigonal bipyramids,  an edgeedge with one N(2)Ta4 tetrahedra,  an edgeedge with one N(5)Ta5 trigonal bipyramid, edges with two equivalent N(4)Ta5 trigonal bipyramids, edges with three equivalent N(1)Ta5 trigonal bipyramids, and edges with three equivalent N(3)Ta5 trigonal bipyramids. In the fifth N site, N(5) is bonded to two equivalent Ta(3) and three equivalent Ta(2) atoms to form distorted NTa5 trigonal bipyramids that share corners with two equivalent N(2)Ta4 tetrahedra, corners with two equivalent N(1)Ta5 trigonal bipyramids, corners with five equivalent N(3)Ta5 trigonal bipyramids, corners with six equivalent N(4)Ta5 trigonal bipyramids, edges with three equivalent N(2)Ta4 tetrahedra,  an edgeedge with one N(1)Ta5 trigonal bipyramid,  an edgeedge with one N(3)Ta5 trigonal bipyramid,  an edgeedge with one N(4)Ta5 trigonal bipyramid, and edges with four equivalent N(5)Ta5 trigonal bipyramids. is represented by the CIF card [CIF]
data_Ta3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.967
_cell_length_b   9.614
_cell_length_c   10.990
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   313.520
_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
  Ta  Ta0  1  0.250  0.091  0.626  1.0
  Ta  Ta1  1  0.250  0.409  0.126  1.0
  Ta  Ta2  1  0.750  0.909  0.374  1.0
  Ta  Ta3  1  0.750  0.591  0.874  1.0
  Ta  Ta4  1  0.250  0.923  0.867  1.0
  Ta  Ta5  1  0.250  0.577  0.367  1.0
  Ta  Ta6  1  0.750  0.077  0.133  1.0
  Ta  Ta7  1  0.750  0.423  0.633  1.0
  Ta  Ta8  1  0.250  0.249  0.883  1.0
  Ta  Ta9  1  0.250  0.251  0.383  1.0
  Ta  Ta10  1  0.750  0.751  0.117  1.0
  Ta  Ta11  1  0.750  0.749  0.617  1.0
  N  N12  1  0.250  0.891  0.525  1.0
  N  N13  1  0.250  0.609  0.025  1.0
  N  N14  1  0.750  0.109  0.475  1.0
  N  N15  1  0.750  0.391  0.975  1.0
  N  N16  1  0.250  0.296  0.569  1.0
  N  N17  1  0.250  0.204  0.069  1.0
  N  N18  1  0.750  0.704  0.431  1.0
  N  N19  1  0.750  0.796  0.931  1.0
  N  N20  1  0.250  0.723  0.762  1.0
  N  N21  1  0.250  0.777  0.262  1.0
  N  N22  1  0.750  0.277  0.238  1.0
  N  N23  1  0.750  0.223  0.738  1.0
  N  N24  1  0.250  0.454  0.785  1.0
  N  N25  1  0.250  0.046  0.285  1.0
  N  N26  1  0.750  0.546  0.215  1.0
  N  N27  1  0.750  0.954  0.715  1.0
  N  N28  1  0.250  0.920  0.075  1.0
  N  N29  1  0.250  0.580  0.575  1.0
  N  N30  1  0.750  0.080  0.925  1.0
  N  N31  1  0.750  0.420  0.425  1.0
[/CIF]
.
The material described by Ta3N5 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 8-coordinate geometry to one N(2), two equivalent N(3), two equivalent N(4), and three equivalent N(1) atoms. In the second Ta site, Ta(2) is bonded in a 8-coordinate geometry to one N(3), two equivalent N(2), two equivalent N(4), and three equivalent N(5) atoms. In the third Ta site, Ta(3) is bonded in a 8-coordinate geometry to one N(2), one N(4), two equivalent N(1), two equivalent N(3), and two equivalent N(5) atoms. There are five inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Ta(3) and three equivalent Ta(1) atoms to form distorted NTa5 trigonal bipyramids that share  a cornercorner with one N(2)Ta4 tetrahedra, corners with two equivalent N(4)Ta5 trigonal bipyramids, corners with two equivalent N(5)Ta5 trigonal bipyramids, corners with six equivalent N(3)Ta5 trigonal bipyramids, edges with two equivalent N(2)Ta4 tetrahedra,  an edgeedge with one N(5)Ta5 trigonal bipyramid, edges with two equivalent N(3)Ta5 trigonal bipyramids, edges with three equivalent N(4)Ta5 trigonal bipyramids, and edges with four equivalent N(1)Ta5 trigonal bipyramids. In the second N site, N(2) is bonded to one Ta(1), one Ta(3), and two equivalent Ta(2) atoms to form distorted NTa4 tetrahedra that share corners with two equivalent N(2)Ta4 tetrahedra,  a cornercorner with one N(1)Ta5 trigonal bipyramid, corners with two equivalent N(3)Ta5 trigonal bipyramids, corners with two equivalent N(5)Ta5 trigonal bipyramids, corners with five equivalent N(4)Ta5 trigonal bipyramids,  an edgeedge with one N(4)Ta5 trigonal bipyramid, edges with two equivalent N(1)Ta5 trigonal bipyramids, edges with two equivalent N(3)Ta5 trigonal bipyramids, and edges with three equivalent N(5)Ta5 trigonal bipyramids. In the third N site, N(3) is bonded to one Ta(2), two equivalent Ta(1), and two equivalent Ta(3) atoms to form distorted NTa5 trigonal bipyramids that share corners with two equivalent N(2)Ta4 tetrahedra, corners with two equivalent N(4)Ta5 trigonal bipyramids, corners with five equivalent N(5)Ta5 trigonal bipyramids, corners with six equivalent N(1)Ta5 trigonal bipyramids, edges with two equivalent N(2)Ta4 tetrahedra,  an edgeedge with one N(5)Ta5 trigonal bipyramid, edges with two equivalent N(1)Ta5 trigonal bipyramids, edges with two equivalent N(3)Ta5 trigonal bipyramids, and edges with three equivalent N(4)Ta5 trigonal bipyramids. In the fourth N site, N(4) is bonded to one Ta(3), two equivalent Ta(1), and two equivalent Ta(2) atoms to form distorted NTa5 trigonal bipyramids that share corners with five equivalent N(2)Ta4 tetrahedra, corners with two equivalent N(1)Ta5 trigonal bipyramids, corners with two equivalent N(3)Ta5 trigonal bipyramids, corners with six equivalent N(5)Ta5 trigonal bipyramids,  an edgeedge with one N(2)Ta4 tetrahedra,  an edgeedge with one N(5)Ta5 trigonal bipyramid, edges with two equivalent N(4)Ta5 trigonal bipyramids, edges with three equivalent N(1)Ta5 trigonal bipyramids, and edges with three equivalent N(3)Ta5 trigonal bipyramids. In the fifth N site, N(5) is bonded to two equivalent Ta(3) and three equivalent Ta(2) atoms to form distorted NTa5 trigonal bipyramids that share corners with two equivalent N(2)Ta4 tetrahedra, corners with two equivalent N(1)Ta5 trigonal bipyramids, corners with five equivalent N(3)Ta5 trigonal bipyramids, corners with six equivalent N(4)Ta5 trigonal bipyramids, edges with three equivalent N(2)Ta4 tetrahedra,  an edgeedge with one N(1)Ta5 trigonal bipyramid,  an edgeedge with one N(3)Ta5 trigonal bipyramid,  an edgeedge with one N(4)Ta5 trigonal bipyramid, and edges with four equivalent N(5)Ta5 trigonal bipyramids. is represented by the CIF card [CIF]
data_Ta3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.967
_cell_length_b   9.614
_cell_length_c   10.990
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   313.520
_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
  Ta  Ta0  1  0.250  0.091  0.626  1.0
  Ta  Ta1  1  0.250  0.409  0.126  1.0
  Ta  Ta2  1  0.750  0.909  0.374  1.0
  Ta  Ta3  1  0.750  0.591  0.874  1.0
  Ta  Ta4  1  0.250  0.923  0.867  1.0
  Ta  Ta5  1  0.250  0.577  0.367  1.0
  Ta  Ta6  1  0.750  0.077  0.133  1.0
  Ta  Ta7  1  0.750  0.423  0.633  1.0
  Ta  Ta8  1  0.250  0.249  0.883  1.0
  Ta  Ta9  1  0.250  0.251  0.383  1.0
  Ta  Ta10  1  0.750  0.751  0.117  1.0
  Ta  Ta11  1  0.750  0.749  0.617  1.0
  N  N12  1  0.250  0.891  0.525  1.0
  N  N13  1  0.250  0.609  0.025  1.0
  N  N14  1  0.750  0.109  0.475  1.0
  N  N15  1  0.750  0.391  0.975  1.0
  N  N16  1  0.250  0.296  0.569  1.0
  N  N17  1  0.250  0.204  0.069  1.0
  N  N18  1  0.750  0.704  0.431  1.0
  N  N19  1  0.750  0.796  0.931  1.0
  N  N20  1  0.250  0.723  0.762  1.0
  N  N21  1  0.250  0.777  0.262  1.0
  N  N22  1  0.750  0.277  0.238  1.0
  N  N23  1  0.750  0.223  0.738  1.0
  N  N24  1  0.250  0.454  0.785  1.0
  N  N25  1  0.250  0.046  0.285  1.0
  N  N26  1  0.750  0.546  0.215  1.0
  N  N27  1  0.750  0.954  0.715  1.0
  N  N28  1  0.250  0.920  0.075  1.0
  N  N29  1  0.250  0.580  0.575  1.0
  N  N30  1  0.750  0.080  0.925  1.0
  N  N31  1  0.750  0.420  0.425  1.0
[/CIF]
.