The crystal structure described by CeCu4Al 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 Al(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to three equivalent Ce(1) and six equivalent Cu(2) atoms. 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 Al(1) atoms to form a mixture of distorted face, corner, and edge-sharing CuCe4Al2Cu6 cuboctahedra. Al(1) is bonded in a 9-coordinate geometry to three equivalent Ce(1) and six equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeAlCu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.720
_cell_length_b   5.720
_cell_length_c   4.470
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   126.653
_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
  Al  Al1  1  0.667  0.333  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.332  0.166  0.500  1.0
  Cu  Cu4  1  0.834  0.166  0.500  1.0
  Cu  Cu5  1  0.834  0.668  0.500  1.0
[/CIF]
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The crystal structure described by CeCu4Al 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 Al(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to three equivalent Ce(1) and six equivalent Cu(2) atoms. 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 Al(1) atoms to form a mixture of distorted face, corner, and edge-sharing CuCe4Al2Cu6 cuboctahedra. Al(1) is bonded in a 9-coordinate geometry to three equivalent Ce(1) and six equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeAlCu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.720
_cell_length_b   5.720
_cell_length_c   4.470
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   126.653
_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
  Al  Al1  1  0.667  0.333  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.332  0.166  0.500  1.0
  Cu  Cu4  1  0.834  0.166  0.500  1.0
  Cu  Cu5  1  0.834  0.668  0.500  1.0
[/CIF]
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