The material described by Cu4Ga is alpha La-derived structured and crystallizes in the trigonal R-3m space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Cu(2), six equivalent Cu(1), and three equivalent Ga(1) atoms to form CuGa3Cu9 cuboctahedra that share corners with three equivalent Cu(2)Cu12 cuboctahedra, corners with nine equivalent Cu(1)Ga3Cu9 cuboctahedra, edges with six equivalent Ga(1)Ga6Cu6 cuboctahedra, edges with nine equivalent Cu(2)Cu12 cuboctahedra, edges with nine equivalent Cu(1)Ga3Cu9 cuboctahedra, faces with six equivalent Cu(2)Cu12 cuboctahedra, faces with six equivalent Cu(1)Ga3Cu9 cuboctahedra, and faces with six equivalent Ga(1)Ga6Cu6 cuboctahedra. In the second Cu site, Cu(2) is bonded to three equivalent Cu(1) and nine equivalent Cu(2) atoms to form CuCu12 cuboctahedra that share corners with three equivalent Cu(1)Ga3Cu9 cuboctahedra, corners with three equivalent Ga(1)Ga6Cu6 cuboctahedra, corners with six equivalent Cu(2)Cu12 cuboctahedra, edges with three equivalent Ga(1)Ga6Cu6 cuboctahedra, edges with nine equivalent Cu(1)Ga3Cu9 cuboctahedra, edges with twelve equivalent Cu(2)Cu12 cuboctahedra, faces with six equivalent Cu(1)Ga3Cu9 cuboctahedra, and faces with twelve equivalent Cu(2)Cu12 cuboctahedra. In the third Cu site, Cu(2) is bonded to three equivalent Cu(1) and nine Cu(2,2) atoms to form CuCu12 cuboctahedra that share corners with three equivalent Cu(1)Ga3Cu9 cuboctahedra; corners with three equivalent Ga(1)Ga6Cu6 cuboctahedra; corners with six equivalent Cu(2)Cu12 cuboctahedra; edges with three equivalent Ga(1)Ga6Cu6 cuboctahedra; edges with nine equivalent Cu(1)Ga3Cu9 cuboctahedra; edges with twelve Cu(2,2)Cu12 cuboctahedra; faces with six equivalent Cu(1)Ga3Cu9 cuboctahedra; and faces with twelve Cu(2,2)Cu12 cuboctahedra. In the fourth Cu site, Cu(2) is bonded to three equivalent Cu(1) and nine Cu(2,2) atoms to form CuCu12 cuboctahedra that share corners with three equivalent Cu(1)Ga3Cu9 cuboctahedra; corners with three equivalent Ga(1)Ga6Cu6 cuboctahedra; corners with six equivalent Cu(2)Cu12 cuboctahedra; edges with three equivalent Ga(1)Ga6Cu6 cuboctahedra; edges with nine equivalent Cu(1)Ga3Cu9 cuboctahedra; edges with twelve Cu(2,2)Cu12 cuboctahedra; faces with six equivalent Cu(1)Ga3Cu9 cuboctahedra; and faces with twelve Cu(2,2)Cu12 cuboctahedra. Ga(1) is bonded to six equivalent Cu(1) and six equivalent Ga(1) atoms to form GaGa6Cu6 cuboctahedra that share corners with six Cu(2,2)Cu12 cuboctahedra; corners with six equivalent Ga(1)Ga6Cu6 cuboctahedra; edges with six Cu(2,2)Cu12 cuboctahedra; edges with six equivalent Ga(1)Ga6Cu6 cuboctahedra; edges with twelve equivalent Cu(1)Ga3Cu9 cuboctahedra; faces with six equivalent Ga(1)Ga6Cu6 cuboctahedra; and faces with twelve equivalent Cu(1)Ga3Cu9 cuboctahedra. is represented by the CIF file [CIF]
data_GaCu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.496
_cell_length_b   10.496
_cell_length_c   10.496
_cell_angle_alpha   14.526
_cell_angle_beta   14.526
_cell_angle_gamma   14.526
_symmetry_Int_Tables_number   1
_cell_volume   63.338
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.598  0.598  0.598  1.0
  Cu  Cu2  1  0.200  0.200  0.200  1.0
  Cu  Cu3  1  0.800  0.800  0.800  1.0
  Cu  Cu4  1  0.402  0.402  0.402  1.0
[/CIF]
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The material described by Cu4Ga is alpha La-derived structured and crystallizes in the trigonal R-3m space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Cu(2), six equivalent Cu(1), and three equivalent Ga(1) atoms to form CuGa3Cu9 cuboctahedra that share corners with three equivalent Cu(2)Cu12 cuboctahedra, corners with nine equivalent Cu(1)Ga3Cu9 cuboctahedra, edges with six equivalent Ga(1)Ga6Cu6 cuboctahedra, edges with nine equivalent Cu(2)Cu12 cuboctahedra, edges with nine equivalent Cu(1)Ga3Cu9 cuboctahedra, faces with six equivalent Cu(2)Cu12 cuboctahedra, faces with six equivalent Cu(1)Ga3Cu9 cuboctahedra, and faces with six equivalent Ga(1)Ga6Cu6 cuboctahedra. In the second Cu site, Cu(2) is bonded to three equivalent Cu(1) and nine equivalent Cu(2) atoms to form CuCu12 cuboctahedra that share corners with three equivalent Cu(1)Ga3Cu9 cuboctahedra, corners with three equivalent Ga(1)Ga6Cu6 cuboctahedra, corners with six equivalent Cu(2)Cu12 cuboctahedra, edges with three equivalent Ga(1)Ga6Cu6 cuboctahedra, edges with nine equivalent Cu(1)Ga3Cu9 cuboctahedra, edges with twelve equivalent Cu(2)Cu12 cuboctahedra, faces with six equivalent Cu(1)Ga3Cu9 cuboctahedra, and faces with twelve equivalent Cu(2)Cu12 cuboctahedra. In the third Cu site, Cu(2) is bonded to three equivalent Cu(1) and nine Cu(2,2) atoms to form CuCu12 cuboctahedra that share corners with three equivalent Cu(1)Ga3Cu9 cuboctahedra; corners with three equivalent Ga(1)Ga6Cu6 cuboctahedra; corners with six equivalent Cu(2)Cu12 cuboctahedra; edges with three equivalent Ga(1)Ga6Cu6 cuboctahedra; edges with nine equivalent Cu(1)Ga3Cu9 cuboctahedra; edges with twelve Cu(2,2)Cu12 cuboctahedra; faces with six equivalent Cu(1)Ga3Cu9 cuboctahedra; and faces with twelve Cu(2,2)Cu12 cuboctahedra. In the fourth Cu site, Cu(2) is bonded to three equivalent Cu(1) and nine Cu(2,2) atoms to form CuCu12 cuboctahedra that share corners with three equivalent Cu(1)Ga3Cu9 cuboctahedra; corners with three equivalent Ga(1)Ga6Cu6 cuboctahedra; corners with six equivalent Cu(2)Cu12 cuboctahedra; edges with three equivalent Ga(1)Ga6Cu6 cuboctahedra; edges with nine equivalent Cu(1)Ga3Cu9 cuboctahedra; edges with twelve Cu(2,2)Cu12 cuboctahedra; faces with six equivalent Cu(1)Ga3Cu9 cuboctahedra; and faces with twelve Cu(2,2)Cu12 cuboctahedra. Ga(1) is bonded to six equivalent Cu(1) and six equivalent Ga(1) atoms to form GaGa6Cu6 cuboctahedra that share corners with six Cu(2,2)Cu12 cuboctahedra; corners with six equivalent Ga(1)Ga6Cu6 cuboctahedra; edges with six Cu(2,2)Cu12 cuboctahedra; edges with six equivalent Ga(1)Ga6Cu6 cuboctahedra; edges with twelve equivalent Cu(1)Ga3Cu9 cuboctahedra; faces with six equivalent Ga(1)Ga6Cu6 cuboctahedra; and faces with twelve equivalent Cu(1)Ga3Cu9 cuboctahedra. is represented by the CIF file [CIF]
data_GaCu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.496
_cell_length_b   10.496
_cell_length_c   10.496
_cell_angle_alpha   14.526
_cell_angle_beta   14.526
_cell_angle_gamma   14.526
_symmetry_Int_Tables_number   1
_cell_volume   63.338
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.598  0.598  0.598  1.0
  Cu  Cu2  1  0.200  0.200  0.200  1.0
  Cu  Cu3  1  0.800  0.800  0.800  1.0
  Cu  Cu4  1  0.402  0.402  0.402  1.0
[/CIF]
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