The material structure described by HfAu3 is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. Hf(1) is bonded to four equivalent Au(2) and eight equivalent Au(1) atoms to form a mixture of edge, corner, and face-sharing HfAu12 cuboctahedra. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 4-coordinate geometry to four equivalent Hf(1) atoms. In the second Au site, Au(2) is bonded in a distorted see-saw-like geometry to four equivalent Hf(1) atoms. is represented by the CIF card [CIF]
data_HfAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.835
_cell_length_b   4.912
_cell_length_c   6.029
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   143.205
_cell_formula_units_Z   2
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  0.750  0.340  0.750  1.0
  Hf  Hf1  1  0.250  0.660  0.250  1.0
  Au  Au2  1  0.750  0.837  0.002  1.0
  Au  Au3  1  0.750  0.837  0.498  1.0
  Au  Au4  1  0.250  0.163  0.998  1.0
  Au  Au5  1  0.250  0.163  0.502  1.0
  Au  Au6  1  0.250  0.654  0.750  1.0
  Au  Au7  1  0.750  0.346  0.250  1.0
[/CIF]
.
The material structure described by HfAu3 is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. Hf(1) is bonded to four equivalent Au(2) and eight equivalent Au(1) atoms to form a mixture of edge, corner, and face-sharing HfAu12 cuboctahedra. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 4-coordinate geometry to four equivalent Hf(1) atoms. In the second Au site, Au(2) is bonded in a distorted see-saw-like geometry to four equivalent Hf(1) atoms. is represented by the CIF card [CIF]
data_HfAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.835
_cell_length_b   4.912
_cell_length_c   6.029
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   143.205
_cell_formula_units_Z   2
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  0.750  0.340  0.750  1.0
  Hf  Hf1  1  0.250  0.660  0.250  1.0
  Au  Au2  1  0.750  0.837  0.002  1.0
  Au  Au3  1  0.750  0.837  0.498  1.0
  Au  Au4  1  0.250  0.163  0.998  1.0
  Au  Au5  1  0.250  0.163  0.502  1.0
  Au  Au6  1  0.250  0.654  0.750  1.0
  Au  Au7  1  0.750  0.346  0.250  1.0
[/CIF]
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