data_HfB2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfB2Au
_chemical_formula_sum   'Hf1 B2 Au1'
_cell_volume   51.2
_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  Hf3  1  0.0  0.0  0.0  1.0
  B  B1  1  0.44  0.44  0.55  1.0
  B  B2  1  0.44  0.44  0.6  1.0
  Au  Au0  1  0.0  0.0  0.08  1.0

data_HfB2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfB2Au
_chemical_formula_sum   'Hf2 B4 Au2'
_cell_volume   102.4
_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  0.0  0.0  0.0  1.0
  B  B1  2  0.44  0.0  0.55  1.0
  B  B2  2  0.44  0.0  0.6  1.0
  Au  Au3  2  0.0  0.0  0.08  1.0

Hf B B Au
Hf B B Au 0 3 o o o 1 2 o o o 
AuHf(B)2 is Cubic alpha N2-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two boron molecules and two AuHf clusters. In each AuHf cluster, Hf(1) is bonded in a single-bond geometry to one Au(1) atom. The Hf(1)-Au(1) bond length is 0.47 Å. Au(1) is bonded in a single-bond geometry to one Hf(1) atom.