The crystal structure described by AlCu4Gd crystallizes in the hexagonal P-6m2 space group. Gd(1) is bonded in a 18-coordinate geometry to three equivalent Cu(1), twelve equivalent Cu(2), and three equivalent Al(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Gd(1), six equivalent Cu(2), and three equivalent Al(1) atoms to form CuGd3Al3Cu6 cuboctahedra that share corners with nine equivalent Al(1)Gd3Cu9 cuboctahedra, corners with twelve equivalent Cu(2)Gd4Al2Cu6 cuboctahedra, edges with six equivalent Cu(1)Gd3Al3Cu6 cuboctahedra, faces with two equivalent Cu(1)Gd3Al3Cu6 cuboctahedra, faces with three equivalent Al(1)Gd3Cu9 cuboctahedra, and faces with eighteen equivalent Cu(2)Gd4Al2Cu6 cuboctahedra. In the second Cu site, Cu(2) is bonded to four equivalent Gd(1), two equivalent Cu(1), four equivalent Cu(2), and two equivalent Al(1) atoms to form distorted CuGd4Al2Cu6 cuboctahedra that share corners with four equivalent Cu(1)Gd3Al3Cu6 cuboctahedra, corners with four equivalent Al(1)Gd3Cu9 cuboctahedra, corners with sixteen equivalent Cu(2)Gd4Al2Cu6 cuboctahedra, edges with ten equivalent Cu(2)Gd4Al2Cu6 cuboctahedra, faces with six equivalent Cu(1)Gd3Al3Cu6 cuboctahedra, faces with six equivalent Al(1)Gd3Cu9 cuboctahedra, and faces with ten equivalent Cu(2)Gd4Al2Cu6 cuboctahedra. Al(1) is bonded to three equivalent Gd(1), three equivalent Cu(1), and six equivalent Cu(2) atoms to form distorted AlGd3Cu9 cuboctahedra that share corners with nine equivalent Cu(1)Gd3Al3Cu6 cuboctahedra, corners with twelve equivalent Cu(2)Gd4Al2Cu6 cuboctahedra, edges with six equivalent Al(1)Gd3Cu9 cuboctahedra, faces with two equivalent Al(1)Gd3Cu9 cuboctahedra, faces with three equivalent Cu(1)Gd3Al3Cu6 cuboctahedra, and faces with eighteen equivalent Cu(2)Gd4Al2Cu6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdAlCu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.143
_cell_length_b   5.143
_cell_length_c   4.017
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.996
_symmetry_Int_Tables_number   1
_cell_volume   92.003
_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
  Gd  Gd0  1  0.333  0.667  0.000  1.0
  Al  Al1  1  1.000  0.000  0.000  1.0
  Cu  Cu2  1  0.667  0.333  0.000  1.0
  Cu  Cu3  1  0.832  0.168  0.500  1.0
  Cu  Cu4  1  0.832  0.665  0.500  1.0
  Cu  Cu5  1  0.335  0.168  0.500  1.0
[/CIF]
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The crystal structure described by AlCu4Gd crystallizes in the hexagonal P-6m2 space group. Gd(1) is bonded in a 18-coordinate geometry to three equivalent Cu(1), twelve equivalent Cu(2), and three equivalent Al(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Gd(1), six equivalent Cu(2), and three equivalent Al(1) atoms to form CuGd3Al3Cu6 cuboctahedra that share corners with nine equivalent Al(1)Gd3Cu9 cuboctahedra, corners with twelve equivalent Cu(2)Gd4Al2Cu6 cuboctahedra, edges with six equivalent Cu(1)Gd3Al3Cu6 cuboctahedra, faces with two equivalent Cu(1)Gd3Al3Cu6 cuboctahedra, faces with three equivalent Al(1)Gd3Cu9 cuboctahedra, and faces with eighteen equivalent Cu(2)Gd4Al2Cu6 cuboctahedra. In the second Cu site, Cu(2) is bonded to four equivalent Gd(1), two equivalent Cu(1), four equivalent Cu(2), and two equivalent Al(1) atoms to form distorted CuGd4Al2Cu6 cuboctahedra that share corners with four equivalent Cu(1)Gd3Al3Cu6 cuboctahedra, corners with four equivalent Al(1)Gd3Cu9 cuboctahedra, corners with sixteen equivalent Cu(2)Gd4Al2Cu6 cuboctahedra, edges with ten equivalent Cu(2)Gd4Al2Cu6 cuboctahedra, faces with six equivalent Cu(1)Gd3Al3Cu6 cuboctahedra, faces with six equivalent Al(1)Gd3Cu9 cuboctahedra, and faces with ten equivalent Cu(2)Gd4Al2Cu6 cuboctahedra. Al(1) is bonded to three equivalent Gd(1), three equivalent Cu(1), and six equivalent Cu(2) atoms to form distorted AlGd3Cu9 cuboctahedra that share corners with nine equivalent Cu(1)Gd3Al3Cu6 cuboctahedra, corners with twelve equivalent Cu(2)Gd4Al2Cu6 cuboctahedra, edges with six equivalent Al(1)Gd3Cu9 cuboctahedra, faces with two equivalent Al(1)Gd3Cu9 cuboctahedra, faces with three equivalent Cu(1)Gd3Al3Cu6 cuboctahedra, and faces with eighteen equivalent Cu(2)Gd4Al2Cu6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdAlCu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.143
_cell_length_b   5.143
_cell_length_c   4.017
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.996
_symmetry_Int_Tables_number   1
_cell_volume   92.003
_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
  Gd  Gd0  1  0.333  0.667  0.000  1.0
  Al  Al1  1  1.000  0.000  0.000  1.0
  Cu  Cu2  1  0.667  0.333  0.000  1.0
  Cu  Cu3  1  0.832  0.168  0.500  1.0
  Cu  Cu4  1  0.832  0.665  0.500  1.0
  Cu  Cu5  1  0.335  0.168  0.500  1.0
[/CIF]
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