data_Hf2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   146.48
_cell_angle_beta   146.48
_cell_angle_gamma   48.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2V
_chemical_formula_sum   'Hf2 V1'
_cell_volume   58.31
_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
  Hf  Hf0  1  0.0  0.0  0.67  1.0
  Hf  Hf1  1  0.0  0.0  0.86  1.0
  V  V2  1  0.0  0.0  0.0  1.0

data_Hf2V
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   5.77
_cell_angle_alpha   90.0
_cell_angle_beta   114.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2V
_chemical_formula_sum   'Hf4 V2'
_cell_volume   116.61
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Hf  Hf0  2  0.17  0.5  0.67  1.0
  Hf  Hf1  2  0.36  0.5  0.86  1.0
  V  V2  2  0.0  0.0  0.0  1.0

Hf Hf V
Hf2V crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Hf2V clusters. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a single-bond geometry to one Hf(2) atom. The Hf(1)-Hf(2) bond length is 1.08 Å. In the second Hf site, Hf(2) is bonded in a distorted single-bond geometry to one Hf(1) and one V(1) atom. The Hf(2)-V(1) bond length is 0.80 Å. V(1) is bonded in a single-bond geometry to one Hf(2) atom.