The compound described by AuAl3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Au(1) is bonded to four equivalent Al(2) and eight equivalent Al(1) atoms to form a mixture of face, corner, and edge-sharing AuAl12 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Au(1) atoms to form a mixture of distorted corner and edge-sharing AlAu4 cuboctahedra. In the second Al site, Al(2) is bonded in a distorted square co-planar geometry to four equivalent Au(1) atoms. is represented by the CIF file [CIF]
data_Al3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.966
_cell_length_b   4.966
_cell_length_c   4.966
_cell_angle_alpha   131.860
_cell_angle_beta   131.860
_cell_angle_gamma   70.450
_symmetry_Int_Tables_number   1
_cell_volume   66.560
_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
  Al  Al0  1  0.750  0.250  0.500  1.0
  Al  Al1  1  0.250  0.750  0.500  1.0
  Al  Al2  1  0.500  0.500  0.000  1.0
  Au  Au3  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by AuAl3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Au(1) is bonded to four equivalent Al(2) and eight equivalent Al(1) atoms to form a mixture of face, corner, and edge-sharing AuAl12 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Au(1) atoms to form a mixture of distorted corner and edge-sharing AlAu4 cuboctahedra. In the second Al site, Al(2) is bonded in a distorted square co-planar geometry to four equivalent Au(1) atoms. is represented by the CIF file [CIF]
data_Al3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.966
_cell_length_b   4.966
_cell_length_c   4.966
_cell_angle_alpha   131.860
_cell_angle_beta   131.860
_cell_angle_gamma   70.450
_symmetry_Int_Tables_number   1
_cell_volume   66.560
_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
  Al  Al0  1  0.750  0.250  0.500  1.0
  Al  Al1  1  0.250  0.750  0.500  1.0
  Al  Al2  1  0.500  0.500  0.000  1.0
  Au  Au3  1  0.000  0.000  0.000  1.0
[/CIF]
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