The structure described by NbVCN is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. Nb(1) is bonded to four equivalent C(1) and two equivalent N(1) atoms to form NbC4N2 octahedra that share corners with six equivalent Nb(1)C4N2 octahedra, edges with four equivalent Nb(1)C4N2 octahedra, and edges with eight equivalent V(1)C2N4 octahedra. The corner-sharing octahedra are not tilted. V(1) is bonded to two equivalent C(1) and four equivalent N(1) atoms to form VC2N4 octahedra that share corners with six equivalent V(1)C2N4 octahedra, edges with four equivalent V(1)C2N4 octahedra, and edges with eight equivalent Nb(1)C4N2 octahedra. The corner-sharing octahedra are not tilted. C(1) is bonded to four equivalent Nb(1) and two equivalent V(1) atoms to form CNb4V2 octahedra that share corners with six equivalent C(1)Nb4V2 octahedra, edges with four equivalent C(1)Nb4V2 octahedra, and edges with eight equivalent N(1)Nb2V4 octahedra. The corner-sharing octahedra are not tilted. N(1) is bonded to two equivalent Nb(1) and four equivalent V(1) atoms to form NNb2V4 octahedra that share corners with six equivalent N(1)Nb2V4 octahedra, edges with four equivalent N(1)Nb2V4 octahedra, and edges with eight equivalent C(1)Nb4V2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbVCN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.086
_cell_length_b   3.086
_cell_length_c   4.303
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   40.988
_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
  Nb  Nb0  1  0.500  0.500  0.500  1.0
  V  V1  1  0.000  0.000  0.000  1.0
  C  C2  1  0.000  0.000  0.500  1.0
  N  N3  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by NbVCN is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. Nb(1) is bonded to four equivalent C(1) and two equivalent N(1) atoms to form NbC4N2 octahedra that share corners with six equivalent Nb(1)C4N2 octahedra, edges with four equivalent Nb(1)C4N2 octahedra, and edges with eight equivalent V(1)C2N4 octahedra. The corner-sharing octahedra are not tilted. V(1) is bonded to two equivalent C(1) and four equivalent N(1) atoms to form VC2N4 octahedra that share corners with six equivalent V(1)C2N4 octahedra, edges with four equivalent V(1)C2N4 octahedra, and edges with eight equivalent Nb(1)C4N2 octahedra. The corner-sharing octahedra are not tilted. C(1) is bonded to four equivalent Nb(1) and two equivalent V(1) atoms to form CNb4V2 octahedra that share corners with six equivalent C(1)Nb4V2 octahedra, edges with four equivalent C(1)Nb4V2 octahedra, and edges with eight equivalent N(1)Nb2V4 octahedra. The corner-sharing octahedra are not tilted. N(1) is bonded to two equivalent Nb(1) and four equivalent V(1) atoms to form NNb2V4 octahedra that share corners with six equivalent N(1)Nb2V4 octahedra, edges with four equivalent N(1)Nb2V4 octahedra, and edges with eight equivalent C(1)Nb4V2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbVCN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.086
_cell_length_b   3.086
_cell_length_c   4.303
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   40.988
_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
  Nb  Nb0  1  0.500  0.500  0.500  1.0
  V  V1  1  0.000  0.000  0.000  1.0
  C  C2  1  0.000  0.000  0.500  1.0
  N  N3  1  0.500  0.500  0.000  1.0
[/CIF]
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