data_NbV2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   147.79
_cell_angle_beta   129.87
_cell_angle_gamma   60.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbV2C
_chemical_formula_sum   'Nb1 V2 C1'
_cell_volume   53.07
_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  Nb1  1  0.41  0.0  0.83  1.0
  V  V2  1  0.0  0.0  0.02  1.0
  V  V3  1  0.0  0.15  0.45  1.0
  C  C0  1  0.0  0.0  0.46  1.0

data_NbV2C
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.3
_cell_length_c   5.08
_cell_angle_alpha   115.06
_cell_angle_beta   106.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbV2C
_chemical_formula_sum   'Nb1 V2 C1'
_cell_volume   53.07
_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  0.0  0.83  0.42  1.0
  V  V1  1  0.0  0.02  0.02  1.0
  V  V2  1  0.85  0.3  0.3  1.0
  C  C3  1  0.0  0.46  0.46  1.0

Nb V V C
Nb V V C 0 3 o o o 1 2 o o o 2 3 o o o 
NbV2C crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NbV2C cluster. Nb(1) is bonded in a single-bond geometry to one C(1) atom. The Nb(1)-C(1) bond length is 1.70 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 1-coordinate geometry to one V(2) atom. The V(1)-V(2) bond length is 1.61 Å. In the second V site, V(2) is bonded in a single-bond geometry to one V(1) and one C(1) atom. The V(2)-C(1) bond length is 0.79 Å. C(1) is bonded in a distorted single-bond geometry to one Nb(1) and one V(2) atom.