The material structure described by CeCu3Al2 crystallizes in the orthorhombic Cmmm space group. Ce(1) is bonded in a distorted hexagonal planar geometry to four equivalent Cu(2), six equivalent Cu(1), and eight equivalent Al(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(2) is bonded to four equivalent Ce(1), four equivalent Cu(1), and four equivalent Al(1) atoms to form distorted CuCe4Al4Cu4 cuboctahedra that share corners with eight equivalent Cu(2)Ce4Al4Cu4 cuboctahedra, corners with eight equivalent Al(1)Ce4Al2Cu6 cuboctahedra, edges with two equivalent Cu(2)Ce4Al4Cu4 cuboctahedra, edges with eight equivalent Al(1)Ce4Al2Cu6 cuboctahedra, faces with two equivalent Cu(2)Ce4Al4Cu4 cuboctahedra, and faces with eight equivalent Al(1)Ce4Al2Cu6 cuboctahedra. In the second Cu site, Cu(1) is bonded in a 9-coordinate geometry to three equivalent Ce(1), two equivalent Cu(2), and four equivalent Al(1) atoms. Al(1) is bonded to four equivalent Ce(1), two equivalent Cu(2), four equivalent Cu(1), and two equivalent Al(1) atoms to form distorted AlCe4Al2Cu6 cuboctahedra that share corners with four equivalent Cu(2)Ce4Al4Cu4 cuboctahedra, corners with twelve equivalent Al(1)Ce4Al2Cu6 cuboctahedra, edges with four equivalent Cu(2)Ce4Al4Cu4 cuboctahedra, edges with six equivalent Al(1)Ce4Al2Cu6 cuboctahedra, faces with four equivalent Cu(2)Ce4Al4Cu4 cuboctahedra, and faces with six equivalent Al(1)Ce4Al2Cu6 cuboctahedra. is represented by the CIF file [CIF]
data_CeAl2Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.169
_cell_length_b   5.169
_cell_length_c   4.148
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.245
_symmetry_Int_Tables_number   1
_cell_volume   97.616
_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  0.500  0.500  0.000  1.0
  Al  Al1  1  0.000  0.500  0.500  1.0
  Al  Al2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.161  0.839  0.000  1.0
  Cu  Cu4  1  0.839  0.161  0.000  1.0
  Cu  Cu5  1  0.000  0.000  0.500  1.0
[/CIF]
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The material structure described by CeCu3Al2 crystallizes in the orthorhombic Cmmm space group. Ce(1) is bonded in a distorted hexagonal planar geometry to four equivalent Cu(2), six equivalent Cu(1), and eight equivalent Al(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(2) is bonded to four equivalent Ce(1), four equivalent Cu(1), and four equivalent Al(1) atoms to form distorted CuCe4Al4Cu4 cuboctahedra that share corners with eight equivalent Cu(2)Ce4Al4Cu4 cuboctahedra, corners with eight equivalent Al(1)Ce4Al2Cu6 cuboctahedra, edges with two equivalent Cu(2)Ce4Al4Cu4 cuboctahedra, edges with eight equivalent Al(1)Ce4Al2Cu6 cuboctahedra, faces with two equivalent Cu(2)Ce4Al4Cu4 cuboctahedra, and faces with eight equivalent Al(1)Ce4Al2Cu6 cuboctahedra. In the second Cu site, Cu(1) is bonded in a 9-coordinate geometry to three equivalent Ce(1), two equivalent Cu(2), and four equivalent Al(1) atoms. Al(1) is bonded to four equivalent Ce(1), two equivalent Cu(2), four equivalent Cu(1), and two equivalent Al(1) atoms to form distorted AlCe4Al2Cu6 cuboctahedra that share corners with four equivalent Cu(2)Ce4Al4Cu4 cuboctahedra, corners with twelve equivalent Al(1)Ce4Al2Cu6 cuboctahedra, edges with four equivalent Cu(2)Ce4Al4Cu4 cuboctahedra, edges with six equivalent Al(1)Ce4Al2Cu6 cuboctahedra, faces with four equivalent Cu(2)Ce4Al4Cu4 cuboctahedra, and faces with six equivalent Al(1)Ce4Al2Cu6 cuboctahedra. is represented by the CIF file [CIF]
data_CeAl2Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.169
_cell_length_b   5.169
_cell_length_c   4.148
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.245
_symmetry_Int_Tables_number   1
_cell_volume   97.616
_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  0.500  0.500  0.000  1.0
  Al  Al1  1  0.000  0.500  0.500  1.0
  Al  Al2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.161  0.839  0.000  1.0
  Cu  Cu4  1  0.839  0.161  0.000  1.0
  Cu  Cu5  1  0.000  0.000  0.500  1.0
[/CIF]
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