The material structure described by TiVCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. Ti(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form TiC3N3 octahedra that share corners with six equivalent V(1)C3N3 octahedra, edges with six equivalent Ti(1)C3N3 octahedra, and edges with six equivalent V(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. V(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form VC3N3 octahedra that share corners with six equivalent Ti(1)C3N3 octahedra, edges with six equivalent Ti(1)C3N3 octahedra, and edges with six equivalent V(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. C(1) is bonded to three equivalent Ti(1) and three equivalent V(1) atoms to form CTi3V3 octahedra that share corners with six equivalent N(1)Ti3V3 octahedra, edges with six equivalent C(1)Ti3V3 octahedra, and edges with six equivalent N(1)Ti3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. N(1) is bonded to three equivalent Ti(1) and three equivalent V(1) atoms to form NTi3V3 octahedra that share corners with six equivalent C(1)Ti3V3 octahedra, edges with six equivalent C(1)Ti3V3 octahedra, and edges with six equivalent N(1)Ti3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. is represented by the CIF card [CIF]
data_TiVCN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.188
_cell_length_b   5.188
_cell_length_c   5.188
_cell_angle_alpha   33.328
_cell_angle_beta   33.328
_cell_angle_gamma   33.328
_symmetry_Int_Tables_number   1
_cell_volume   37.533
_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  0.748  0.748  0.748  1.0
  V  V1  1  0.253  0.253  0.253  1.0
  C  C2  1  0.998  0.998  0.998  1.0
  N  N3  1  0.502  0.502  0.502  1.0
[/CIF]
.
The material structure described by TiVCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. Ti(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form TiC3N3 octahedra that share corners with six equivalent V(1)C3N3 octahedra, edges with six equivalent Ti(1)C3N3 octahedra, and edges with six equivalent V(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. V(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form VC3N3 octahedra that share corners with six equivalent Ti(1)C3N3 octahedra, edges with six equivalent Ti(1)C3N3 octahedra, and edges with six equivalent V(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. C(1) is bonded to three equivalent Ti(1) and three equivalent V(1) atoms to form CTi3V3 octahedra that share corners with six equivalent N(1)Ti3V3 octahedra, edges with six equivalent C(1)Ti3V3 octahedra, and edges with six equivalent N(1)Ti3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. N(1) is bonded to three equivalent Ti(1) and three equivalent V(1) atoms to form NTi3V3 octahedra that share corners with six equivalent C(1)Ti3V3 octahedra, edges with six equivalent C(1)Ti3V3 octahedra, and edges with six equivalent N(1)Ti3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. is represented by the CIF card [CIF]
data_TiVCN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.188
_cell_length_b   5.188
_cell_length_c   5.188
_cell_angle_alpha   33.328
_cell_angle_beta   33.328
_cell_angle_gamma   33.328
_symmetry_Int_Tables_number   1
_cell_volume   37.533
_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  0.748  0.748  0.748  1.0
  V  V1  1  0.253  0.253  0.253  1.0
  C  C2  1  0.998  0.998  0.998  1.0
  N  N3  1  0.502  0.502  0.502  1.0
[/CIF]
.