The structure described by Cu3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Cu(1) is bonded to eight equivalent Cu(1) and four equivalent Ga(1) atoms to form CuGa4Cu8 cuboctahedra that share corners with four equivalent Ga(1)Cu12 cuboctahedra, corners with fourteen equivalent Cu(1)Ga4Cu8 cuboctahedra, edges with six equivalent Ga(1)Cu12 cuboctahedra, edges with twelve equivalent Cu(1)Ga4Cu8 cuboctahedra, faces with four equivalent Ga(1)Cu12 cuboctahedra, and faces with sixteen equivalent Cu(1)Ga4Cu8 cuboctahedra. Ga(1) is bonded to twelve equivalent Cu(1) atoms to form GaCu12 cuboctahedra that share corners with six equivalent Ga(1)Cu12 cuboctahedra, corners with twelve equivalent Cu(1)Ga4Cu8 cuboctahedra, edges with eighteen equivalent Cu(1)Ga4Cu8 cuboctahedra, faces with eight equivalent Ga(1)Cu12 cuboctahedra, and faces with twelve 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   5.157
_cell_length_b   5.157
_cell_length_c   4.201
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   96.778
_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
  Ga  Ga0  1  0.333  0.667  0.750  1.0
  Ga  Ga1  1  0.667  0.333  0.250  1.0
  Cu  Cu2  1  0.165  0.331  0.250  1.0
  Cu  Cu3  1  0.669  0.835  0.250  1.0
  Cu  Cu4  1  0.165  0.835  0.250  1.0
  Cu  Cu5  1  0.835  0.669  0.750  1.0
  Cu  Cu6  1  0.331  0.165  0.750  1.0
  Cu  Cu7  1  0.835  0.165  0.750  1.0
[/CIF]
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The structure described by Cu3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Cu(1) is bonded to eight equivalent Cu(1) and four equivalent Ga(1) atoms to form CuGa4Cu8 cuboctahedra that share corners with four equivalent Ga(1)Cu12 cuboctahedra, corners with fourteen equivalent Cu(1)Ga4Cu8 cuboctahedra, edges with six equivalent Ga(1)Cu12 cuboctahedra, edges with twelve equivalent Cu(1)Ga4Cu8 cuboctahedra, faces with four equivalent Ga(1)Cu12 cuboctahedra, and faces with sixteen equivalent Cu(1)Ga4Cu8 cuboctahedra. Ga(1) is bonded to twelve equivalent Cu(1) atoms to form GaCu12 cuboctahedra that share corners with six equivalent Ga(1)Cu12 cuboctahedra, corners with twelve equivalent Cu(1)Ga4Cu8 cuboctahedra, edges with eighteen equivalent Cu(1)Ga4Cu8 cuboctahedra, faces with eight equivalent Ga(1)Cu12 cuboctahedra, and faces with twelve 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   5.157
_cell_length_b   5.157
_cell_length_c   4.201
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   96.778
_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
  Ga  Ga0  1  0.333  0.667  0.750  1.0
  Ga  Ga1  1  0.667  0.333  0.250  1.0
  Cu  Cu2  1  0.165  0.331  0.250  1.0
  Cu  Cu3  1  0.669  0.835  0.250  1.0
  Cu  Cu4  1  0.165  0.835  0.250  1.0
  Cu  Cu5  1  0.835  0.669  0.750  1.0
  Cu  Cu6  1  0.331  0.165  0.750  1.0
  Cu  Cu7  1  0.835  0.165  0.750  1.0
[/CIF]
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