The crystal structure described by Cu3Ga is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Cu(1), four equivalent Cu(2), and four equivalent Ga(1) atoms to form CuGa4Cu8 cuboctahedra that share corners with twelve equivalent Cu(1)Ga4Cu8 cuboctahedra, edges with eight equivalent Cu(1)Ga4Cu8 cuboctahedra, edges with eight equivalent Cu(2)Ga4Cu8 cuboctahedra, edges with eight equivalent Ga(1)Cu12 cuboctahedra, faces with four equivalent Cu(2)Ga4Cu8 cuboctahedra, faces with four equivalent Ga(1)Cu12 cuboctahedra, and faces with ten equivalent Cu(1)Ga4Cu8 cuboctahedra. In the second Cu site, Cu(2) is bonded to eight equivalent Cu(1) and four equivalent Ga(1) atoms to form CuGa4Cu8 cuboctahedra that share corners with four equivalent Cu(2)Ga4Cu8 cuboctahedra, corners with eight equivalent Ga(1)Cu12 cuboctahedra, edges with eight equivalent Cu(2)Ga4Cu8 cuboctahedra, edges with sixteen equivalent Cu(1)Ga4Cu8 cuboctahedra, faces with four equivalent Cu(2)Ga4Cu8 cuboctahedra, faces with six equivalent Ga(1)Cu12 cuboctahedra, and faces with eight equivalent Cu(1)Ga4Cu8 cuboctahedra. Ga(1) is bonded to four equivalent Cu(2) and eight equivalent Cu(1) atoms to form GaCu12 cuboctahedra that share corners with four equivalent Ga(1)Cu12 cuboctahedra, corners with eight equivalent Cu(2)Ga4Cu8 cuboctahedra, edges with eight equivalent Ga(1)Cu12 cuboctahedra, edges with sixteen equivalent Cu(1)Ga4Cu8 cuboctahedra, faces with four equivalent Ga(1)Cu12 cuboctahedra, faces with six equivalent Cu(2)Ga4Cu8 cuboctahedra, and faces with eight equivalent Cu(1)Ga4Cu8 cuboctahedra. is represented by the CIF file [CIF]
data_GaCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.487
_cell_length_b   4.487
_cell_length_c   4.487
_cell_angle_alpha   132.236
_cell_angle_beta   132.236
_cell_angle_gamma   69.856
_symmetry_Int_Tables_number   1
_cell_volume   48.568
_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  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by Cu3Ga is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Cu(1), four equivalent Cu(2), and four equivalent Ga(1) atoms to form CuGa4Cu8 cuboctahedra that share corners with twelve equivalent Cu(1)Ga4Cu8 cuboctahedra, edges with eight equivalent Cu(1)Ga4Cu8 cuboctahedra, edges with eight equivalent Cu(2)Ga4Cu8 cuboctahedra, edges with eight equivalent Ga(1)Cu12 cuboctahedra, faces with four equivalent Cu(2)Ga4Cu8 cuboctahedra, faces with four equivalent Ga(1)Cu12 cuboctahedra, and faces with ten equivalent Cu(1)Ga4Cu8 cuboctahedra. In the second Cu site, Cu(2) is bonded to eight equivalent Cu(1) and four equivalent Ga(1) atoms to form CuGa4Cu8 cuboctahedra that share corners with four equivalent Cu(2)Ga4Cu8 cuboctahedra, corners with eight equivalent Ga(1)Cu12 cuboctahedra, edges with eight equivalent Cu(2)Ga4Cu8 cuboctahedra, edges with sixteen equivalent Cu(1)Ga4Cu8 cuboctahedra, faces with four equivalent Cu(2)Ga4Cu8 cuboctahedra, faces with six equivalent Ga(1)Cu12 cuboctahedra, and faces with eight equivalent Cu(1)Ga4Cu8 cuboctahedra. Ga(1) is bonded to four equivalent Cu(2) and eight equivalent Cu(1) atoms to form GaCu12 cuboctahedra that share corners with four equivalent Ga(1)Cu12 cuboctahedra, corners with eight equivalent Cu(2)Ga4Cu8 cuboctahedra, edges with eight equivalent Ga(1)Cu12 cuboctahedra, edges with sixteen equivalent Cu(1)Ga4Cu8 cuboctahedra, faces with four equivalent Ga(1)Cu12 cuboctahedra, faces with six equivalent Cu(2)Ga4Cu8 cuboctahedra, and faces with eight equivalent Cu(1)Ga4Cu8 cuboctahedra. is represented by the CIF file [CIF]
data_GaCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.487
_cell_length_b   4.487
_cell_length_c   4.487
_cell_angle_alpha   132.236
_cell_angle_beta   132.236
_cell_angle_gamma   69.856
_symmetry_Int_Tables_number   1
_cell_volume   48.568
_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  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
[/CIF]
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