The material structure described by NbVC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Nb(1) is bonded to six equivalent C(1) atoms to form NbC6 octahedra that share corners with six equivalent V(1)C6 octahedra, edges with six equivalent Nb(1)C6 octahedra, and edges with six equivalent V(1)C6 octahedra. The corner-sharing octahedral tilt angles are 4°. V(1) is bonded to six equivalent C(1) atoms to form VC6 octahedra that share corners with six equivalent Nb(1)C6 octahedra, edges with six equivalent Nb(1)C6 octahedra, and edges with six equivalent V(1)C6 octahedra. The corner-sharing octahedral tilt angles are 4°. C(1) is bonded to three equivalent Nb(1) and three equivalent V(1) atoms to form a mixture of edge and corner-sharing CNb3V3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_NbVC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.315
_cell_length_b   5.315
_cell_length_c   5.315
_cell_angle_alpha   33.758
_cell_angle_beta   33.758
_cell_angle_gamma   33.758
_symmetry_Int_Tables_number   1
_cell_volume   41.312
_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  0.000  0.000  0.000  1.0
  V  V1  1  0.500  0.500  0.500  1.0
  C  C2  1  0.756  0.756  0.756  1.0
  C  C3  1  0.244  0.244  0.244  1.0
[/CIF]
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The material structure described by NbVC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Nb(1) is bonded to six equivalent C(1) atoms to form NbC6 octahedra that share corners with six equivalent V(1)C6 octahedra, edges with six equivalent Nb(1)C6 octahedra, and edges with six equivalent V(1)C6 octahedra. The corner-sharing octahedral tilt angles are 4°. V(1) is bonded to six equivalent C(1) atoms to form VC6 octahedra that share corners with six equivalent Nb(1)C6 octahedra, edges with six equivalent Nb(1)C6 octahedra, and edges with six equivalent V(1)C6 octahedra. The corner-sharing octahedral tilt angles are 4°. C(1) is bonded to three equivalent Nb(1) and three equivalent V(1) atoms to form a mixture of edge and corner-sharing CNb3V3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_NbVC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.315
_cell_length_b   5.315
_cell_length_c   5.315
_cell_angle_alpha   33.758
_cell_angle_beta   33.758
_cell_angle_gamma   33.758
_symmetry_Int_Tables_number   1
_cell_volume   41.312
_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  0.000  0.000  0.000  1.0
  V  V1  1  0.500  0.500  0.500  1.0
  C  C2  1  0.756  0.756  0.756  1.0
  C  C3  1  0.244  0.244  0.244  1.0
[/CIF]
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