data_NbVCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   132.94
_cell_angle_beta   132.94
_cell_angle_gamma   68.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVCd2
_chemical_formula_sum   'Nb1 V1 Cd2'
_cell_volume   72.76
_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  Nb2  1  0.0  0.06  0.13  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.06  0.0  0.13  1.0
  Cd  Cd1  1  0.0  0.0  0.27  1.0

data_NbVCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   5.17
_cell_angle_alpha   113.53
_cell_angle_beta   113.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVCd2
_chemical_formula_sum   'Nb1 V1 Cd2'
_cell_volume   72.76
_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  0.93  0.06  0.93  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.73  0.0  0.73  1.0
  Cd  Cd3  1  0.87  0.0  0.93  1.0

Nb V Cd Cd
NbVCd2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NbVCd2 cluster. Nb(1) is bonded in a single-bond geometry to one V(1), one Cd(1), and one Cd(2) atom. The Nb(1)-V(1) bond length is 0.53 Å. The Nb(1)-Cd(1) bond length is 0.38 Å. The Nb(1)-Cd(2) bond length is 0.95 Å. V(1) is bonded in a 2-coordinate geometry to one Nb(1) and one Cd(1) atom. The V(1)-Cd(1) bond length is 0.53 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted single-bond geometry to one Nb(1), one V(1), and one Cd(2) atom. The Cd(1)-Cd(2) bond length is 0.95 Å. In the second Cd site, Cd(2) is bonded in a 2-coordinate geometry to one Nb(1) and one Cd(1) atom.