data_Hf4Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83
_cell_length_b   7.83
_cell_length_c   7.83
_cell_angle_alpha   151.44
_cell_angle_beta   151.44
_cell_angle_gamma   40.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4Co
_chemical_formula_sum   'Hf4 Co1'
_cell_volume   109.38
_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  Hf1  1  0.93  0.0  0.67  1.0
  Hf  Hf2  1  0.0  0.0  1.0  1.0
  Hf  Hf3  1  0.0  0.0  0.67  1.0
  Hf  Hf4  1  0.0  0.93  0.67  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_Hf4Co
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   110.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf4Co
_chemical_formula_sum   'Hf8 Co2'
_cell_volume   218.75
_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  4  0.2  0.47  0.74  1.0
  Hf  Hf1  2  0.17  0.5  0.67  1.0
  Hf  Hf2  2  0.5  0.5  1.0  1.0
  Co  Co3  2  0.0  0.0  0.0  1.0

Hf Hf Hf Hf Co 0 3 + - o 0 2 + o o 1 4 o o + 2 3 o - o 
(Hf)3HfCo crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two 12016-78-3 molecules and two Hf clusters. In each Hf cluster, there are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 2-coordinate geometry to one Hf(1) and one Hf(3) atom. The Hf(1)-Hf(1) bond length is 0.38 Å. The Hf(1)-Hf(3) bond length is 0.51 Å. In the second Hf site, Hf(3) is bonded in a 2-coordinate geometry to two equivalent Hf(1) atoms.