The structure described by CeCu4Ga crystallizes in the hexagonal P-6m2 space group. Ce(1) is bonded in a 18-coordinate geometry to three equivalent Cu(1), twelve equivalent Cu(2), and three equivalent Ga(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Ce(1), six equivalent Cu(2), and three equivalent Ga(1) atoms to form distorted CuCe3Ga3Cu6 cuboctahedra that share corners with nine equivalent Ga(1)Ce3Cu9 cuboctahedra, corners with twelve equivalent Cu(2)Ce4Ga2Cu6 cuboctahedra, edges with six equivalent Cu(1)Ce3Ga3Cu6 cuboctahedra, faces with two equivalent Cu(1)Ce3Ga3Cu6 cuboctahedra, faces with three equivalent Ga(1)Ce3Cu9 cuboctahedra, and faces with eighteen equivalent Cu(2)Ce4Ga2Cu6 cuboctahedra. In the second Cu site, Cu(2) is bonded to four equivalent Ce(1), two equivalent Cu(1), four equivalent Cu(2), and two equivalent Ga(1) atoms to form CuCe4Ga2Cu6 cuboctahedra that share corners with four equivalent Cu(1)Ce3Ga3Cu6 cuboctahedra, corners with four equivalent Ga(1)Ce3Cu9 cuboctahedra, corners with sixteen equivalent Cu(2)Ce4Ga2Cu6 cuboctahedra, edges with ten equivalent Cu(2)Ce4Ga2Cu6 cuboctahedra, faces with six equivalent Cu(1)Ce3Ga3Cu6 cuboctahedra, faces with six equivalent Ga(1)Ce3Cu9 cuboctahedra, and faces with ten equivalent Cu(2)Ce4Ga2Cu6 cuboctahedra. Ga(1) is bonded to three equivalent Ce(1), three equivalent Cu(1), and six equivalent Cu(2) atoms to form distorted GaCe3Cu9 cuboctahedra that share corners with nine equivalent Cu(1)Ce3Ga3Cu6 cuboctahedra, corners with twelve equivalent Cu(2)Ce4Ga2Cu6 cuboctahedra, edges with six equivalent Ga(1)Ce3Cu9 cuboctahedra, faces with two equivalent Ga(1)Ce3Cu9 cuboctahedra, faces with three equivalent Cu(1)Ce3Ga3Cu6 cuboctahedra, and faces with eighteen equivalent Cu(2)Ce4Ga2Cu6 cuboctahedra. is represented by the CIF card [CIF]
data_CeGaCu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.238
_cell_length_b   5.238
_cell_length_c   4.060
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   96.486
_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
  Ce  Ce0  1  0.333  0.667  0.000  1.0
  Ga  Ga1  1  0.667  0.333  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.330  0.165  0.500  1.0
  Cu  Cu4  1  0.835  0.165  0.500  1.0
  Cu  Cu5  1  0.835  0.670  0.500  1.0
[/CIF]
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The structure described by CeCu4Ga crystallizes in the hexagonal P-6m2 space group. Ce(1) is bonded in a 18-coordinate geometry to three equivalent Cu(1), twelve equivalent Cu(2), and three equivalent Ga(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Ce(1), six equivalent Cu(2), and three equivalent Ga(1) atoms to form distorted CuCe3Ga3Cu6 cuboctahedra that share corners with nine equivalent Ga(1)Ce3Cu9 cuboctahedra, corners with twelve equivalent Cu(2)Ce4Ga2Cu6 cuboctahedra, edges with six equivalent Cu(1)Ce3Ga3Cu6 cuboctahedra, faces with two equivalent Cu(1)Ce3Ga3Cu6 cuboctahedra, faces with three equivalent Ga(1)Ce3Cu9 cuboctahedra, and faces with eighteen equivalent Cu(2)Ce4Ga2Cu6 cuboctahedra. In the second Cu site, Cu(2) is bonded to four equivalent Ce(1), two equivalent Cu(1), four equivalent Cu(2), and two equivalent Ga(1) atoms to form CuCe4Ga2Cu6 cuboctahedra that share corners with four equivalent Cu(1)Ce3Ga3Cu6 cuboctahedra, corners with four equivalent Ga(1)Ce3Cu9 cuboctahedra, corners with sixteen equivalent Cu(2)Ce4Ga2Cu6 cuboctahedra, edges with ten equivalent Cu(2)Ce4Ga2Cu6 cuboctahedra, faces with six equivalent Cu(1)Ce3Ga3Cu6 cuboctahedra, faces with six equivalent Ga(1)Ce3Cu9 cuboctahedra, and faces with ten equivalent Cu(2)Ce4Ga2Cu6 cuboctahedra. Ga(1) is bonded to three equivalent Ce(1), three equivalent Cu(1), and six equivalent Cu(2) atoms to form distorted GaCe3Cu9 cuboctahedra that share corners with nine equivalent Cu(1)Ce3Ga3Cu6 cuboctahedra, corners with twelve equivalent Cu(2)Ce4Ga2Cu6 cuboctahedra, edges with six equivalent Ga(1)Ce3Cu9 cuboctahedra, faces with two equivalent Ga(1)Ce3Cu9 cuboctahedra, faces with three equivalent Cu(1)Ce3Ga3Cu6 cuboctahedra, and faces with eighteen equivalent Cu(2)Ce4Ga2Cu6 cuboctahedra. is represented by the CIF card [CIF]
data_CeGaCu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.238
_cell_length_b   5.238
_cell_length_c   4.060
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   96.486
_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
  Ce  Ce0  1  0.333  0.667  0.000  1.0
  Ga  Ga1  1  0.667  0.333  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.330  0.165  0.500  1.0
  Cu  Cu4  1  0.835  0.165  0.500  1.0
  Cu  Cu5  1  0.835  0.670  0.500  1.0
[/CIF]
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