The material structure described by Au3In is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted see-saw-like geometry to eight equivalent Au(2) and four equivalent In(1) atoms. In the second Au site, Au(2) is bonded to four equivalent Au(1), four equivalent Au(2), and four equivalent In(1) atoms to form distorted AuIn4Au8 cuboctahedra that share corners with four equivalent In(1)Au12 cuboctahedra, corners with ten equivalent Au(2)In4Au8 cuboctahedra, edges with six equivalent Au(2)In4Au8 cuboctahedra, edges with six equivalent In(1)Au12 cuboctahedra, faces with four equivalent In(1)Au12 cuboctahedra, and faces with twelve equivalent Au(2)In4Au8 cuboctahedra. In(1) is bonded to four equivalent Au(1) and eight equivalent Au(2) atoms to form InAu12 cuboctahedra that share corners with two equivalent In(1)Au12 cuboctahedra, corners with eight equivalent Au(2)In4Au8 cuboctahedra, edges with six equivalent In(1)Au12 cuboctahedra, edges with twelve equivalent Au(2)In4Au8 cuboctahedra, faces with six equivalent In(1)Au12 cuboctahedra, and faces with eight equivalent Au(2)In4Au8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_InAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.837
_cell_length_b   5.272
_cell_length_c   5.779
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   147.367
_cell_formula_units_Z   2
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  0.665  0.750  1.0
  In  In1  1  0.250  0.335  0.250  1.0
  Au  Au2  1  0.250  0.337  0.750  1.0
  Au  Au3  1  0.750  0.663  0.250  1.0
  Au  Au4  1  0.250  0.837  0.999  1.0
  Au  Au5  1  0.750  0.163  0.001  1.0
  Au  Au6  1  0.250  0.837  0.501  1.0
  Au  Au7  1  0.750  0.163  0.499  1.0
[/CIF]
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The material structure described by Au3In is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted see-saw-like geometry to eight equivalent Au(2) and four equivalent In(1) atoms. In the second Au site, Au(2) is bonded to four equivalent Au(1), four equivalent Au(2), and four equivalent In(1) atoms to form distorted AuIn4Au8 cuboctahedra that share corners with four equivalent In(1)Au12 cuboctahedra, corners with ten equivalent Au(2)In4Au8 cuboctahedra, edges with six equivalent Au(2)In4Au8 cuboctahedra, edges with six equivalent In(1)Au12 cuboctahedra, faces with four equivalent In(1)Au12 cuboctahedra, and faces with twelve equivalent Au(2)In4Au8 cuboctahedra. In(1) is bonded to four equivalent Au(1) and eight equivalent Au(2) atoms to form InAu12 cuboctahedra that share corners with two equivalent In(1)Au12 cuboctahedra, corners with eight equivalent Au(2)In4Au8 cuboctahedra, edges with six equivalent In(1)Au12 cuboctahedra, edges with twelve equivalent Au(2)In4Au8 cuboctahedra, faces with six equivalent In(1)Au12 cuboctahedra, and faces with eight equivalent Au(2)In4Au8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_InAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.837
_cell_length_b   5.272
_cell_length_c   5.779
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   147.367
_cell_formula_units_Z   2
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  0.665  0.750  1.0
  In  In1  1  0.250  0.335  0.250  1.0
  Au  Au2  1  0.250  0.337  0.750  1.0
  Au  Au3  1  0.750  0.663  0.250  1.0
  Au  Au4  1  0.250  0.837  0.999  1.0
  Au  Au5  1  0.750  0.163  0.001  1.0
  Au  Au6  1  0.250  0.837  0.501  1.0
  Au  Au7  1  0.750  0.163  0.499  1.0
[/CIF]
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