The material described by Au8Al3 crystallizes in the trigonal R-3c space group. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a 4-coordinate geometry to one Al(2) and three equivalent Al(3) atoms. In the second Au site, Au(2) is bonded to one Al(1) and three equivalent Al(3) atoms to form a mixture of distorted corner and edge-sharing AuAl4 tetrahedra. In the third Au site, Au(3) is bonded to one Al(1), one Al(3), and two equivalent Al(2) atoms to form a mixture of distorted corner and edge-sharing AuAl4 tetrahedra. In the fourth Au site, Au(4) is bonded in a 3-coordinate geometry to one Al(2) and two equivalent Al(3) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a body-centered cubic geometry to two equivalent Au(2) and six equivalent Au(3) atoms. In the second Al site, Al(2) is bonded in a distorted q6 geometry to one Au(1), three equivalent Au(4), and six equivalent Au(3) atoms. In the third Al site, Al(3) is bonded in a distorted q6 geometry to two equivalent Au(1), two equivalent Au(2), two equivalent Au(3), and four equivalent Au(4) atoms. is represented by the CIF file [CIF]
data_Al3Au8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.998
_cell_length_b   14.998
_cell_length_c   14.998
_cell_angle_alpha   30.317
_cell_angle_beta   30.317
_cell_angle_gamma   30.317
_symmetry_Int_Tables_number   1
_cell_volume   761.797
_cell_formula_units_Z   4
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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.500  0.500  0.500  1.0
  Al  Al2  1  0.844  0.844  0.844  1.0
  Al  Al3  1  0.656  0.656  0.656  1.0
  Al  Al4  1  0.156  0.156  0.156  1.0
  Al  Al5  1  0.344  0.344  0.344  1.0
  Al  Al6  1  0.566  0.934  0.250  1.0
  Al  Al7  1  0.934  0.250  0.566  1.0
  Al  Al8  1  0.250  0.566  0.934  1.0
  Al  Al9  1  0.434  0.066  0.750  1.0
  Al  Al10  1  0.066  0.750  0.434  1.0
  Al  Al11  1  0.750  0.434  0.066  1.0
  Au  Au12  1  0.782  0.782  0.782  1.0
  Au  Au13  1  0.718  0.718  0.718  1.0
  Au  Au14  1  0.218  0.218  0.218  1.0
  Au  Au15  1  0.282  0.282  0.282  1.0
  Au  Au16  1  0.063  0.063  0.063  1.0
  Au  Au17  1  0.437  0.437  0.437  1.0
  Au  Au18  1  0.937  0.937  0.937  1.0
  Au  Au19  1  0.563  0.563  0.563  1.0
  Au  Au20  1  0.704  0.351  0.996  1.0
  Au  Au21  1  0.351  0.996  0.704  1.0
  Au  Au22  1  0.996  0.704  0.351  1.0
  Au  Au23  1  0.149  0.796  0.504  1.0
  Au  Au24  1  0.796  0.504  0.149  1.0
  Au  Au25  1  0.504  0.149  0.796  1.0
  Au  Au26  1  0.296  0.649  0.004  1.0
  Au  Au27  1  0.649  0.004  0.296  1.0
  Au  Au28  1  0.004  0.296  0.649  1.0
  Au  Au29  1  0.851  0.204  0.496  1.0
  Au  Au30  1  0.204  0.496  0.851  1.0
  Au  Au31  1  0.496  0.851  0.204  1.0
  Au  Au32  1  0.125  0.385  0.647  1.0
  Au  Au33  1  0.385  0.647  0.125  1.0
  Au  Au34  1  0.647  0.125  0.385  1.0
  Au  Au35  1  0.115  0.375  0.853  1.0
  Au  Au36  1  0.375  0.853  0.115  1.0
  Au  Au37  1  0.853  0.115  0.375  1.0
  Au  Au38  1  0.875  0.615  0.353  1.0
  Au  Au39  1  0.615  0.353  0.875  1.0
  Au  Au40  1  0.353  0.875  0.615  1.0
  Au  Au41  1  0.885  0.625  0.147  1.0
  Au  Au42  1  0.625  0.147  0.885  1.0
  Au  Au43  1  0.147  0.885  0.625  1.0
[/CIF]
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The material described by Au8Al3 crystallizes in the trigonal R-3c space group. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a 4-coordinate geometry to one Al(2) and three equivalent Al(3) atoms. In the second Au site, Au(2) is bonded to one Al(1) and three equivalent Al(3) atoms to form a mixture of distorted corner and edge-sharing AuAl4 tetrahedra. In the third Au site, Au(3) is bonded to one Al(1), one Al(3), and two equivalent Al(2) atoms to form a mixture of distorted corner and edge-sharing AuAl4 tetrahedra. In the fourth Au site, Au(4) is bonded in a 3-coordinate geometry to one Al(2) and two equivalent Al(3) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a body-centered cubic geometry to two equivalent Au(2) and six equivalent Au(3) atoms. In the second Al site, Al(2) is bonded in a distorted q6 geometry to one Au(1), three equivalent Au(4), and six equivalent Au(3) atoms. In the third Al site, Al(3) is bonded in a distorted q6 geometry to two equivalent Au(1), two equivalent Au(2), two equivalent Au(3), and four equivalent Au(4) atoms. is represented by the CIF file [CIF]
data_Al3Au8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.998
_cell_length_b   14.998
_cell_length_c   14.998
_cell_angle_alpha   30.317
_cell_angle_beta   30.317
_cell_angle_gamma   30.317
_symmetry_Int_Tables_number   1
_cell_volume   761.797
_cell_formula_units_Z   4
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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.500  0.500  0.500  1.0
  Al  Al2  1  0.844  0.844  0.844  1.0
  Al  Al3  1  0.656  0.656  0.656  1.0
  Al  Al4  1  0.156  0.156  0.156  1.0
  Al  Al5  1  0.344  0.344  0.344  1.0
  Al  Al6  1  0.566  0.934  0.250  1.0
  Al  Al7  1  0.934  0.250  0.566  1.0
  Al  Al8  1  0.250  0.566  0.934  1.0
  Al  Al9  1  0.434  0.066  0.750  1.0
  Al  Al10  1  0.066  0.750  0.434  1.0
  Al  Al11  1  0.750  0.434  0.066  1.0
  Au  Au12  1  0.782  0.782  0.782  1.0
  Au  Au13  1  0.718  0.718  0.718  1.0
  Au  Au14  1  0.218  0.218  0.218  1.0
  Au  Au15  1  0.282  0.282  0.282  1.0
  Au  Au16  1  0.063  0.063  0.063  1.0
  Au  Au17  1  0.437  0.437  0.437  1.0
  Au  Au18  1  0.937  0.937  0.937  1.0
  Au  Au19  1  0.563  0.563  0.563  1.0
  Au  Au20  1  0.704  0.351  0.996  1.0
  Au  Au21  1  0.351  0.996  0.704  1.0
  Au  Au22  1  0.996  0.704  0.351  1.0
  Au  Au23  1  0.149  0.796  0.504  1.0
  Au  Au24  1  0.796  0.504  0.149  1.0
  Au  Au25  1  0.504  0.149  0.796  1.0
  Au  Au26  1  0.296  0.649  0.004  1.0
  Au  Au27  1  0.649  0.004  0.296  1.0
  Au  Au28  1  0.004  0.296  0.649  1.0
  Au  Au29  1  0.851  0.204  0.496  1.0
  Au  Au30  1  0.204  0.496  0.851  1.0
  Au  Au31  1  0.496  0.851  0.204  1.0
  Au  Au32  1  0.125  0.385  0.647  1.0
  Au  Au33  1  0.385  0.647  0.125  1.0
  Au  Au34  1  0.647  0.125  0.385  1.0
  Au  Au35  1  0.115  0.375  0.853  1.0
  Au  Au36  1  0.375  0.853  0.115  1.0
  Au  Au37  1  0.853  0.115  0.375  1.0
  Au  Au38  1  0.875  0.615  0.353  1.0
  Au  Au39  1  0.615  0.353  0.875  1.0
  Au  Au40  1  0.353  0.875  0.615  1.0
  Au  Au41  1  0.885  0.625  0.147  1.0
  Au  Au42  1  0.625  0.147  0.885  1.0
  Au  Au43  1  0.147  0.885  0.625  1.0
[/CIF]
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