The structure described by Cu3Au is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Au(1) is bonded to twelve equivalent Cu(1) atoms to form AuCu12 cuboctahedra that share corners with twelve equivalent Au(1)Cu12 cuboctahedra, edges with twenty-four equivalent Cu(1)Cu8Au4 cuboctahedra, faces with six equivalent Au(1)Cu12 cuboctahedra, and faces with twelve equivalent Cu(1)Cu8Au4 cuboctahedra. Cu(1) is bonded to four equivalent Au(1) and eight equivalent Cu(1) atoms to form distorted CuCu8Au4 cuboctahedra that share corners with twelve equivalent Cu(1)Cu8Au4 cuboctahedra, edges with eight equivalent Au(1)Cu12 cuboctahedra, edges with sixteen equivalent Cu(1)Cu8Au4 cuboctahedra, faces with four equivalent Au(1)Cu12 cuboctahedra, and faces with fourteen equivalent Cu(1)Cu8Au4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.735
_cell_length_b   3.735
_cell_length_c   3.735
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   52.120
_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
  Cu  Cu0  1  0.000  0.500  0.500  1.0
  Cu  Cu1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Au  Au3  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Cu3Au is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Au(1) is bonded to twelve equivalent Cu(1) atoms to form AuCu12 cuboctahedra that share corners with twelve equivalent Au(1)Cu12 cuboctahedra, edges with twenty-four equivalent Cu(1)Cu8Au4 cuboctahedra, faces with six equivalent Au(1)Cu12 cuboctahedra, and faces with twelve equivalent Cu(1)Cu8Au4 cuboctahedra. Cu(1) is bonded to four equivalent Au(1) and eight equivalent Cu(1) atoms to form distorted CuCu8Au4 cuboctahedra that share corners with twelve equivalent Cu(1)Cu8Au4 cuboctahedra, edges with eight equivalent Au(1)Cu12 cuboctahedra, edges with sixteen equivalent Cu(1)Cu8Au4 cuboctahedra, faces with four equivalent Au(1)Cu12 cuboctahedra, and faces with fourteen equivalent Cu(1)Cu8Au4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.735
_cell_length_b   3.735
_cell_length_c   3.735
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   52.120
_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
  Cu  Cu0  1  0.000  0.500  0.500  1.0
  Cu  Cu1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Au  Au3  1  0.000  0.000  0.000  1.0
[/CIF]
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