The crystal structure described by TaNbN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ta(1) is bonded to six equivalent N(1) atoms to form TaN6 octahedra that share corners with six equivalent Nb(1)N6 octahedra, edges with six equivalent Ta(1)N6 octahedra, and edges with six equivalent Nb(1)N6 octahedra. The corner-sharing octahedral tilt angles are 3°. Nb(1) is bonded to six equivalent N(1) atoms to form NbN6 octahedra that share corners with six equivalent Ta(1)N6 octahedra, edges with six equivalent Ta(1)N6 octahedra, and edges with six equivalent Nb(1)N6 octahedra. The corner-sharing octahedral tilt angles are 3°. N(1) is bonded to three equivalent Ta(1) and three equivalent Nb(1) atoms to form a mixture of corner and edge-sharing NTa3Nb3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_TaNbN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.425
_cell_length_b   5.425
_cell_length_c   5.425
_cell_angle_alpha   33.690
_cell_angle_beta   33.690
_cell_angle_gamma   33.690
_symmetry_Int_Tables_number   1
_cell_volume   43.762
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.500  0.500  0.500  1.0
  N  N2  1  0.254  0.254  0.254  1.0
  N  N3  1  0.746  0.746  0.746  1.0
[/CIF]
.
The crystal structure described by TaNbN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ta(1) is bonded to six equivalent N(1) atoms to form TaN6 octahedra that share corners with six equivalent Nb(1)N6 octahedra, edges with six equivalent Ta(1)N6 octahedra, and edges with six equivalent Nb(1)N6 octahedra. The corner-sharing octahedral tilt angles are 3°. Nb(1) is bonded to six equivalent N(1) atoms to form NbN6 octahedra that share corners with six equivalent Ta(1)N6 octahedra, edges with six equivalent Ta(1)N6 octahedra, and edges with six equivalent Nb(1)N6 octahedra. The corner-sharing octahedral tilt angles are 3°. N(1) is bonded to three equivalent Ta(1) and three equivalent Nb(1) atoms to form a mixture of corner and edge-sharing NTa3Nb3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_TaNbN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.425
_cell_length_b   5.425
_cell_length_c   5.425
_cell_angle_alpha   33.690
_cell_angle_beta   33.690
_cell_angle_gamma   33.690
_symmetry_Int_Tables_number   1
_cell_volume   43.762
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.500  0.500  0.500  1.0
  N  N2  1  0.254  0.254  0.254  1.0
  N  N3  1  0.746  0.746  0.746  1.0
[/CIF]
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