The compound described by TiNbN2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Ti(1) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form TiN6 octahedra that share corners with six equivalent Ti(1)N6 octahedra, edges with four equivalent Ti(1)N6 octahedra, and edges with eight equivalent Nb(1)N6 octahedra. The corner-sharing octahedra are not tilted. Nb(1) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form NbN6 octahedra that share corners with six equivalent Nb(1)N6 octahedra, edges with four equivalent Nb(1)N6 octahedra, and edges with eight equivalent Ti(1)N6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Ti(1) and four equivalent Nb(1) atoms to form NTi2Nb4 octahedra that share corners with six equivalent N(1)Ti2Nb4 octahedra, edges with four equivalent N(1)Ti2Nb4 octahedra, and edges with eight equivalent N(2)Ti4Nb2 octahedra. The corner-sharing octahedra are not tilted. In the second N site, N(2) is bonded to four equivalent Ti(1) and two equivalent Nb(1) atoms to form NTi4Nb2 octahedra that share corners with six equivalent N(2)Ti4Nb2 octahedra, edges with four equivalent N(2)Ti4Nb2 octahedra, and edges with eight equivalent N(1)Ti2Nb4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_TiNbN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.093
_cell_length_b   3.093
_cell_length_c   4.358
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   41.697
_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
  Ti  Ti0  1  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.500  0.500  0.500  1.0
  N  N2  1  0.000  0.000  0.500  1.0
  N  N3  1  0.500  0.500  0.000  1.0
[/CIF]
.
The compound described by TiNbN2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Ti(1) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form TiN6 octahedra that share corners with six equivalent Ti(1)N6 octahedra, edges with four equivalent Ti(1)N6 octahedra, and edges with eight equivalent Nb(1)N6 octahedra. The corner-sharing octahedra are not tilted. Nb(1) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form NbN6 octahedra that share corners with six equivalent Nb(1)N6 octahedra, edges with four equivalent Nb(1)N6 octahedra, and edges with eight equivalent Ti(1)N6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Ti(1) and four equivalent Nb(1) atoms to form NTi2Nb4 octahedra that share corners with six equivalent N(1)Ti2Nb4 octahedra, edges with four equivalent N(1)Ti2Nb4 octahedra, and edges with eight equivalent N(2)Ti4Nb2 octahedra. The corner-sharing octahedra are not tilted. In the second N site, N(2) is bonded to four equivalent Ti(1) and two equivalent Nb(1) atoms to form NTi4Nb2 octahedra that share corners with six equivalent N(2)Ti4Nb2 octahedra, edges with four equivalent N(2)Ti4Nb2 octahedra, and edges with eight equivalent N(1)Ti2Nb4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_TiNbN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.093
_cell_length_b   3.093
_cell_length_c   4.358
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   41.697
_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
  Ti  Ti0  1  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.500  0.500  0.500  1.0
  N  N2  1  0.000  0.000  0.500  1.0
  N  N3  1  0.500  0.500  0.000  1.0
[/CIF]
.