The material structure described by LaCu4Al crystallizes in the hexagonal P-6m2 space group. La(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 La(1), six equivalent Cu(2), and three equivalent Al(1) atoms to form distorted CuLa3Al3Cu6 cuboctahedra that share corners with twelve equivalent Cu(2)La4Al2Cu6 cuboctahedra, edges with six equivalent Cu(1)La3Al3Cu6 cuboctahedra, faces with two equivalent Cu(1)La3Al3Cu6 cuboctahedra, and faces with eighteen equivalent Cu(2)La4Al2Cu6 cuboctahedra. In the second Cu site, Cu(2) is bonded to four equivalent La(1), two equivalent Cu(1), four equivalent Cu(2), and two equivalent Al(1) atoms to form distorted CuLa4Al2Cu6 cuboctahedra that share corners with four equivalent Cu(1)La3Al3Cu6 cuboctahedra, corners with sixteen equivalent Cu(2)La4Al2Cu6 cuboctahedra, edges with ten equivalent Cu(2)La4Al2Cu6 cuboctahedra, faces with six equivalent Cu(1)La3Al3Cu6 cuboctahedra, and faces with ten equivalent Cu(2)La4Al2Cu6 cuboctahedra. Al(1) is bonded in a 12-coordinate geometry to three equivalent La(1), three equivalent Cu(1), and six equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_LaAlCu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.334
_cell_length_b   5.334
_cell_length_c   4.021
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   99.074
_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
  La  La0  1  0.333  0.667  0.000  1.0
  Al  Al1  1  0.000  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  0.664  0.500  1.0
  Cu  Cu5  1  0.336  0.168  0.500  1.0
[/CIF]
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The material structure described by LaCu4Al crystallizes in the hexagonal P-6m2 space group. La(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 La(1), six equivalent Cu(2), and three equivalent Al(1) atoms to form distorted CuLa3Al3Cu6 cuboctahedra that share corners with twelve equivalent Cu(2)La4Al2Cu6 cuboctahedra, edges with six equivalent Cu(1)La3Al3Cu6 cuboctahedra, faces with two equivalent Cu(1)La3Al3Cu6 cuboctahedra, and faces with eighteen equivalent Cu(2)La4Al2Cu6 cuboctahedra. In the second Cu site, Cu(2) is bonded to four equivalent La(1), two equivalent Cu(1), four equivalent Cu(2), and two equivalent Al(1) atoms to form distorted CuLa4Al2Cu6 cuboctahedra that share corners with four equivalent Cu(1)La3Al3Cu6 cuboctahedra, corners with sixteen equivalent Cu(2)La4Al2Cu6 cuboctahedra, edges with ten equivalent Cu(2)La4Al2Cu6 cuboctahedra, faces with six equivalent Cu(1)La3Al3Cu6 cuboctahedra, and faces with ten equivalent Cu(2)La4Al2Cu6 cuboctahedra. Al(1) is bonded in a 12-coordinate geometry to three equivalent La(1), three equivalent Cu(1), and six equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_LaAlCu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.334
_cell_length_b   5.334
_cell_length_c   4.021
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   99.074
_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
  La  La0  1  0.333  0.667  0.000  1.0
  Al  Al1  1  0.000  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  0.664  0.500  1.0
  Cu  Cu5  1  0.336  0.168  0.500  1.0
[/CIF]
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