The structure described by AuGa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Au(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form AuGa12 cuboctahedra that share corners with four equivalent Au(1)Ga12 cuboctahedra, corners with eight equivalent Ga(2)Ga8Au4 cuboctahedra, corners with sixteen equivalent Ga(1)Ga4Au4 cuboctahedra, edges with eight equivalent Au(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Ga4Au4 cuboctahedra, faces with four equivalent Au(1)Ga12 cuboctahedra, and faces with six equivalent Ga(2)Ga8Au4 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Au(1) and four equivalent Ga(2) atoms to form distorted GaGa4Au4 cuboctahedra that share corners with eight equivalent Au(1)Ga12 cuboctahedra, corners with eight equivalent Ga(1)Ga4Au4 cuboctahedra, corners with eight equivalent Ga(2)Ga8Au4 cuboctahedra, edges with four equivalent Au(1)Ga12 cuboctahedra, edges with four equivalent Ga(2)Ga8Au4 cuboctahedra, edges with twelve equivalent Ga(1)Ga4Au4 cuboctahedra, and faces with six equivalent Ga(1)Ga4Au4 cuboctahedra. In the second Ga site, Ga(2) is bonded to four equivalent Au(1) and eight equivalent Ga(1) atoms to form distorted GaGa8Au4 cuboctahedra that share corners with four equivalent Ga(2)Ga8Au4 cuboctahedra, corners with eight equivalent Au(1)Ga12 cuboctahedra, corners with sixteen equivalent Ga(1)Ga4Au4 cuboctahedra, edges with eight equivalent Ga(1)Ga4Au4 cuboctahedra, edges with eight equivalent Ga(2)Ga8Au4 cuboctahedra, faces with four equivalent Ga(2)Ga8Au4 cuboctahedra, and faces with six equivalent Au(1)Ga12 cuboctahedra. is represented by the CIF file [CIF]
data_Ga3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.083
_cell_length_b   5.083
_cell_length_c   5.083
_cell_angle_alpha   130.734
_cell_angle_beta   130.734
_cell_angle_gamma   72.235
_symmetry_Int_Tables_number   1
_cell_volume   73.705
_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
  Ga  Ga0  1  0.750  0.250  0.500  1.0
  Ga  Ga1  1  0.250  0.750  0.500  1.0
  Ga  Ga2  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 structure described by AuGa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Au(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form AuGa12 cuboctahedra that share corners with four equivalent Au(1)Ga12 cuboctahedra, corners with eight equivalent Ga(2)Ga8Au4 cuboctahedra, corners with sixteen equivalent Ga(1)Ga4Au4 cuboctahedra, edges with eight equivalent Au(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Ga4Au4 cuboctahedra, faces with four equivalent Au(1)Ga12 cuboctahedra, and faces with six equivalent Ga(2)Ga8Au4 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Au(1) and four equivalent Ga(2) atoms to form distorted GaGa4Au4 cuboctahedra that share corners with eight equivalent Au(1)Ga12 cuboctahedra, corners with eight equivalent Ga(1)Ga4Au4 cuboctahedra, corners with eight equivalent Ga(2)Ga8Au4 cuboctahedra, edges with four equivalent Au(1)Ga12 cuboctahedra, edges with four equivalent Ga(2)Ga8Au4 cuboctahedra, edges with twelve equivalent Ga(1)Ga4Au4 cuboctahedra, and faces with six equivalent Ga(1)Ga4Au4 cuboctahedra. In the second Ga site, Ga(2) is bonded to four equivalent Au(1) and eight equivalent Ga(1) atoms to form distorted GaGa8Au4 cuboctahedra that share corners with four equivalent Ga(2)Ga8Au4 cuboctahedra, corners with eight equivalent Au(1)Ga12 cuboctahedra, corners with sixteen equivalent Ga(1)Ga4Au4 cuboctahedra, edges with eight equivalent Ga(1)Ga4Au4 cuboctahedra, edges with eight equivalent Ga(2)Ga8Au4 cuboctahedra, faces with four equivalent Ga(2)Ga8Au4 cuboctahedra, and faces with six equivalent Au(1)Ga12 cuboctahedra. is represented by the CIF file [CIF]
data_Ga3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.083
_cell_length_b   5.083
_cell_length_c   5.083
_cell_angle_alpha   130.734
_cell_angle_beta   130.734
_cell_angle_gamma   72.235
_symmetry_Int_Tables_number   1
_cell_volume   73.705
_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
  Ga  Ga0  1  0.750  0.250  0.500  1.0
  Ga  Ga1  1  0.250  0.750  0.500  1.0
  Ga  Ga2  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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