data_Hf2InB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2InB
_chemical_formula_sum   'Hf2 In1 B1'
_cell_volume   69.83
_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  0.48  0.48  0.54  1.0
  Hf  Hf2  1  0.48  0.48  0.4  1.0
  In  In3  1  0.0  0.0  0.97  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Hf2InB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2InB
_chemical_formula_sum   'Hf4 In2 B2'
_cell_volume   139.66
_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  0.48  0.0  0.4  1.0
  Hf  Hf1  2  0.48  0.0  0.54  1.0
  In  In2  2  0.0  0.0  0.97  1.0
  B  B3  2  0.0  0.0  0.0  1.0

Hf Hf In B
Hf Hf In B 0 1 o o o 2 3 o o + 
(Hf)2InB is gamma nitrogen-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two boron;indium 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 single-bond geometry to one Hf(2) atom. The Hf(1)-Hf(2) bond length is 1.16 Å. In the second Hf site, Hf(2) is bonded in a single-bond geometry to one Hf(1) atom.