The compound described by Au2Al crystallizes in the orthorhombic Pnnm space group. There are five inequivalent Au sites. In the first Au site, Au(1) is bonded in a 4-coordinate geometry to one Al(1) and four equivalent Al(3) atoms. In the second Au site, Au(2) is bonded in a 4-coordinate geometry to two equivalent Al(2) and two equivalent Al(3) atoms. In the third Au site, Au(3) is bonded in a 5-coordinate geometry to one Al(3), two equivalent Al(1), and two equivalent Al(2) atoms. In the fourth Au site, Au(4) is bonded in a 4-coordinate geometry to two equivalent Al(1) and two equivalent Al(2) atoms. In the fifth Au site, Au(5) is bonded in a 5-coordinate geometry to two equivalent Al(3) and three equivalent Al(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to two equivalent Au(1), four equivalent Au(3), and four equivalent Au(4) atoms. In the second Al site, Al(2) is bonded in a distorted q6 geometry to two equivalent Au(2), two equivalent Au(3), two equivalent Au(4), and three equivalent Au(5) atoms. In the third Al site, Al(3) is bonded in a distorted q6 geometry to one Au(3), two equivalent Au(2), two equivalent Au(5), and four equivalent Au(1) atoms. is represented by the CIF card [CIF]
data_AlAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.215
_cell_length_b   8.895
_cell_length_c   17.217
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   492.354
_cell_formula_units_Z   10
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  0.000  0.979  0.202  1.0
  Al  Al3  1  0.000  0.021  0.798  1.0
  Al  Al4  1  0.500  0.479  0.298  1.0
  Al  Al5  1  0.500  0.521  0.702  1.0
  Al  Al6  1  0.000  0.029  0.402  1.0
  Al  Al7  1  0.000  0.971  0.598  1.0
  Al  Al8  1  0.500  0.529  0.098  1.0
  Al  Al9  1  0.500  0.471  0.902  1.0
  Au  Au10  1  0.000  0.344  0.014  1.0
  Au  Au11  1  0.000  0.656  0.986  1.0
  Au  Au12  1  0.500  0.844  0.486  1.0
  Au  Au13  1  0.500  0.156  0.514  1.0
  Au  Au14  1  0.000  0.362  0.186  1.0
  Au  Au15  1  0.000  0.638  0.814  1.0
  Au  Au16  1  0.500  0.862  0.314  1.0
  Au  Au17  1  0.500  0.138  0.686  1.0
  Au  Au18  1  0.000  0.326  0.405  1.0
  Au  Au19  1  0.000  0.674  0.595  1.0
  Au  Au20  1  0.500  0.826  0.095  1.0
  Au  Au21  1  0.500  0.174  0.905  1.0
  Au  Au22  1  0.000  0.365  0.607  1.0
  Au  Au23  1  0.000  0.635  0.393  1.0
  Au  Au24  1  0.500  0.865  0.893  1.0
  Au  Au25  1  0.500  0.135  0.107  1.0
  Au  Au26  1  0.000  0.330  0.787  1.0
  Au  Au27  1  0.000  0.670  0.213  1.0
  Au  Au28  1  0.500  0.830  0.713  1.0
  Au  Au29  1  0.500  0.170  0.287  1.0
[/CIF]
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The compound described by Au2Al crystallizes in the orthorhombic Pnnm space group. There are five inequivalent Au sites. In the first Au site, Au(1) is bonded in a 4-coordinate geometry to one Al(1) and four equivalent Al(3) atoms. In the second Au site, Au(2) is bonded in a 4-coordinate geometry to two equivalent Al(2) and two equivalent Al(3) atoms. In the third Au site, Au(3) is bonded in a 5-coordinate geometry to one Al(3), two equivalent Al(1), and two equivalent Al(2) atoms. In the fourth Au site, Au(4) is bonded in a 4-coordinate geometry to two equivalent Al(1) and two equivalent Al(2) atoms. In the fifth Au site, Au(5) is bonded in a 5-coordinate geometry to two equivalent Al(3) and three equivalent Al(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to two equivalent Au(1), four equivalent Au(3), and four equivalent Au(4) atoms. In the second Al site, Al(2) is bonded in a distorted q6 geometry to two equivalent Au(2), two equivalent Au(3), two equivalent Au(4), and three equivalent Au(5) atoms. In the third Al site, Al(3) is bonded in a distorted q6 geometry to one Au(3), two equivalent Au(2), two equivalent Au(5), and four equivalent Au(1) atoms. is represented by the CIF card [CIF]
data_AlAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.215
_cell_length_b   8.895
_cell_length_c   17.217
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   492.354
_cell_formula_units_Z   10
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  0.000  0.979  0.202  1.0
  Al  Al3  1  0.000  0.021  0.798  1.0
  Al  Al4  1  0.500  0.479  0.298  1.0
  Al  Al5  1  0.500  0.521  0.702  1.0
  Al  Al6  1  0.000  0.029  0.402  1.0
  Al  Al7  1  0.000  0.971  0.598  1.0
  Al  Al8  1  0.500  0.529  0.098  1.0
  Al  Al9  1  0.500  0.471  0.902  1.0
  Au  Au10  1  0.000  0.344  0.014  1.0
  Au  Au11  1  0.000  0.656  0.986  1.0
  Au  Au12  1  0.500  0.844  0.486  1.0
  Au  Au13  1  0.500  0.156  0.514  1.0
  Au  Au14  1  0.000  0.362  0.186  1.0
  Au  Au15  1  0.000  0.638  0.814  1.0
  Au  Au16  1  0.500  0.862  0.314  1.0
  Au  Au17  1  0.500  0.138  0.686  1.0
  Au  Au18  1  0.000  0.326  0.405  1.0
  Au  Au19  1  0.000  0.674  0.595  1.0
  Au  Au20  1  0.500  0.826  0.095  1.0
  Au  Au21  1  0.500  0.174  0.905  1.0
  Au  Au22  1  0.000  0.365  0.607  1.0
  Au  Au23  1  0.000  0.635  0.393  1.0
  Au  Au24  1  0.500  0.865  0.893  1.0
  Au  Au25  1  0.500  0.135  0.107  1.0
  Au  Au26  1  0.000  0.330  0.787  1.0
  Au  Au27  1  0.000  0.670  0.213  1.0
  Au  Au28  1  0.500  0.830  0.713  1.0
  Au  Au29  1  0.500  0.170  0.287  1.0
[/CIF]
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