The crystal structure described by AuIn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Au(1) is bonded to four equivalent In(2) and eight equivalent In(1) atoms to form AuIn12 cuboctahedra that share corners with four equivalent Au(1)In12 cuboctahedra, edges with eight equivalent Au(1)In12 cuboctahedra, edges with sixteen equivalent In(1)In8Au4 cuboctahedra, faces with four equivalent Au(1)In12 cuboctahedra, and faces with eight equivalent In(1)In8Au4 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Au(1), four equivalent In(1), and four equivalent In(2) atoms to form distorted InIn8Au4 cuboctahedra that share corners with twelve equivalent In(1)In8Au4 cuboctahedra, edges with eight equivalent Au(1)In12 cuboctahedra, edges with eight equivalent In(1)In8Au4 cuboctahedra, faces with four equivalent Au(1)In12 cuboctahedra, and faces with ten equivalent In(1)In8Au4 cuboctahedra. In the second In site, In(2) is bonded in a square co-planar geometry to four equivalent Au(1) and eight equivalent In(1) atoms. is represented by the CIF file [CIF]
data_In3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.803
_cell_length_b   5.803
_cell_length_c   5.803
_cell_angle_alpha   134.648
_cell_angle_beta   134.648
_cell_angle_gamma   66.078
_symmetry_Int_Tables_number   1
_cell_volume   97.368
_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
  In  In0  1  0.750  0.250  0.500  1.0
  In  In1  1  0.250  0.750  0.500  1.0
  In  In2  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 crystal structure described by AuIn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Au(1) is bonded to four equivalent In(2) and eight equivalent In(1) atoms to form AuIn12 cuboctahedra that share corners with four equivalent Au(1)In12 cuboctahedra, edges with eight equivalent Au(1)In12 cuboctahedra, edges with sixteen equivalent In(1)In8Au4 cuboctahedra, faces with four equivalent Au(1)In12 cuboctahedra, and faces with eight equivalent In(1)In8Au4 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Au(1), four equivalent In(1), and four equivalent In(2) atoms to form distorted InIn8Au4 cuboctahedra that share corners with twelve equivalent In(1)In8Au4 cuboctahedra, edges with eight equivalent Au(1)In12 cuboctahedra, edges with eight equivalent In(1)In8Au4 cuboctahedra, faces with four equivalent Au(1)In12 cuboctahedra, and faces with ten equivalent In(1)In8Au4 cuboctahedra. In the second In site, In(2) is bonded in a square co-planar geometry to four equivalent Au(1) and eight equivalent In(1) atoms. is represented by the CIF file [CIF]
data_In3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.803
_cell_length_b   5.803
_cell_length_c   5.803
_cell_angle_alpha   134.648
_cell_angle_beta   134.648
_cell_angle_gamma   66.078
_symmetry_Int_Tables_number   1
_cell_volume   97.368
_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
  In  In0  1  0.750  0.250  0.500  1.0
  In  In1  1  0.250  0.750  0.500  1.0
  In  In2  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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