The compound described by CuNiAu crystallizes in the trigonal P3m1 space group. Ni(1) is bonded to six equivalent Ni(1), three equivalent Au(1), and three equivalent Cu(1) atoms to form distorted NiCu3Ni6Au3 cuboctahedra that share corners with three equivalent Au(1)Cu3Ni3Au6 cuboctahedra, corners with three equivalent Cu(1)Cu6Ni3Au3 cuboctahedra, corners with six equivalent Ni(1)Cu3Ni6Au3 cuboctahedra, edges with six equivalent Ni(1)Cu3Ni6Au3 cuboctahedra, edges with nine equivalent Au(1)Cu3Ni3Au6 cuboctahedra, edges with nine equivalent Cu(1)Cu6Ni3Au3 cuboctahedra, faces with six equivalent Ni(1)Cu3Ni6Au3 cuboctahedra, faces with six equivalent Au(1)Cu3Ni3Au6 cuboctahedra, and faces with six equivalent Cu(1)Cu6Ni3Au3 cuboctahedra. Au(1) is bonded to three equivalent Ni(1), six equivalent Au(1), and three equivalent Cu(1) atoms to form distorted AuCu3Ni3Au6 cuboctahedra that share corners with three equivalent Ni(1)Cu3Ni6Au3 cuboctahedra, corners with three equivalent Cu(1)Cu6Ni3Au3 cuboctahedra, corners with six equivalent Au(1)Cu3Ni3Au6 cuboctahedra, edges with six equivalent Au(1)Cu3Ni3Au6 cuboctahedra, edges with nine equivalent Ni(1)Cu3Ni6Au3 cuboctahedra, edges with nine equivalent Cu(1)Cu6Ni3Au3 cuboctahedra, faces with six equivalent Ni(1)Cu3Ni6Au3 cuboctahedra, faces with six equivalent Au(1)Cu3Ni3Au6 cuboctahedra, and faces with six equivalent Cu(1)Cu6Ni3Au3 cuboctahedra. Cu(1) is bonded to three equivalent Ni(1), three equivalent Au(1), and six equivalent Cu(1) atoms to form distorted CuCu6Ni3Au3 cuboctahedra that share corners with three equivalent Ni(1)Cu3Ni6Au3 cuboctahedra, corners with three equivalent Au(1)Cu3Ni3Au6 cuboctahedra, corners with six equivalent Cu(1)Cu6Ni3Au3 cuboctahedra, edges with six equivalent Cu(1)Cu6Ni3Au3 cuboctahedra, edges with nine equivalent Ni(1)Cu3Ni6Au3 cuboctahedra, edges with nine equivalent Au(1)Cu3Ni3Au6 cuboctahedra, faces with six equivalent Ni(1)Cu3Ni6Au3 cuboctahedra, faces with six equivalent Au(1)Cu3Ni3Au6 cuboctahedra, and faces with six equivalent Cu(1)Cu6Ni3Au3 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuNiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.746
_cell_length_b   2.746
_cell_length_c   6.341
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   41.403
_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  0.667  0.333  0.351  1.0
  Ni  Ni1  1  0.333  0.667  0.651  1.0
  Au  Au2  1  0.000  0.000  0.998  1.0
[/CIF]
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The compound described by CuNiAu crystallizes in the trigonal P3m1 space group. Ni(1) is bonded to six equivalent Ni(1), three equivalent Au(1), and three equivalent Cu(1) atoms to form distorted NiCu3Ni6Au3 cuboctahedra that share corners with three equivalent Au(1)Cu3Ni3Au6 cuboctahedra, corners with three equivalent Cu(1)Cu6Ni3Au3 cuboctahedra, corners with six equivalent Ni(1)Cu3Ni6Au3 cuboctahedra, edges with six equivalent Ni(1)Cu3Ni6Au3 cuboctahedra, edges with nine equivalent Au(1)Cu3Ni3Au6 cuboctahedra, edges with nine equivalent Cu(1)Cu6Ni3Au3 cuboctahedra, faces with six equivalent Ni(1)Cu3Ni6Au3 cuboctahedra, faces with six equivalent Au(1)Cu3Ni3Au6 cuboctahedra, and faces with six equivalent Cu(1)Cu6Ni3Au3 cuboctahedra. Au(1) is bonded to three equivalent Ni(1), six equivalent Au(1), and three equivalent Cu(1) atoms to form distorted AuCu3Ni3Au6 cuboctahedra that share corners with three equivalent Ni(1)Cu3Ni6Au3 cuboctahedra, corners with three equivalent Cu(1)Cu6Ni3Au3 cuboctahedra, corners with six equivalent Au(1)Cu3Ni3Au6 cuboctahedra, edges with six equivalent Au(1)Cu3Ni3Au6 cuboctahedra, edges with nine equivalent Ni(1)Cu3Ni6Au3 cuboctahedra, edges with nine equivalent Cu(1)Cu6Ni3Au3 cuboctahedra, faces with six equivalent Ni(1)Cu3Ni6Au3 cuboctahedra, faces with six equivalent Au(1)Cu3Ni3Au6 cuboctahedra, and faces with six equivalent Cu(1)Cu6Ni3Au3 cuboctahedra. Cu(1) is bonded to three equivalent Ni(1), three equivalent Au(1), and six equivalent Cu(1) atoms to form distorted CuCu6Ni3Au3 cuboctahedra that share corners with three equivalent Ni(1)Cu3Ni6Au3 cuboctahedra, corners with three equivalent Au(1)Cu3Ni3Au6 cuboctahedra, corners with six equivalent Cu(1)Cu6Ni3Au3 cuboctahedra, edges with six equivalent Cu(1)Cu6Ni3Au3 cuboctahedra, edges with nine equivalent Ni(1)Cu3Ni6Au3 cuboctahedra, edges with nine equivalent Au(1)Cu3Ni3Au6 cuboctahedra, faces with six equivalent Ni(1)Cu3Ni6Au3 cuboctahedra, faces with six equivalent Au(1)Cu3Ni3Au6 cuboctahedra, and faces with six equivalent Cu(1)Cu6Ni3Au3 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuNiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.746
_cell_length_b   2.746
_cell_length_c   6.341
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   41.403
_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  0.667  0.333  0.351  1.0
  Ni  Ni1  1  0.333  0.667  0.651  1.0
  Au  Au2  1  0.000  0.000  0.998  1.0
[/CIF]
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