The compound described by La(CuAl5)2 crystallizes in the orthorhombic Fmmm space group. La(1) is bonded in a 20-coordinate geometry to four equivalent Cu(1), four equivalent Al(1), four equivalent Al(3), and eight equivalent Al(2) atoms. Cu(1) is bonded in a 8-coordinate geometry to two equivalent La(1), four equivalent Al(1), and four equivalent Al(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one La(1), two equivalent Cu(1), one Al(1), two equivalent Al(3), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 2-coordinate geometry to two equivalent La(1), two equivalent Cu(1), two equivalent Al(3), and four equivalent Al(1) atoms. In the third Al site, Al(3) is bonded to two equivalent La(1), two equivalent Al(3), four equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of face and corner-sharing AlLa2Al10 cuboctahedra. is represented by the CIF file [CIF]
data_La(Al5Cu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.185
_cell_length_b   7.173
_cell_length_c   6.832
_cell_angle_alpha   81.927
_cell_angle_beta   50.640
_cell_angle_gamma   47.433
_symmetry_Int_Tables_number   1
_cell_volume   220.968
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.008  0.352  0.648  1.0
  Al  Al2  1  0.992  0.648  0.352  1.0
  Al  Al3  1  0.352  0.008  0.992  1.0
  Al  Al4  1  0.648  0.992  0.008  1.0
  Al  Al5  1  0.492  0.275  0.725  1.0
  Al  Al6  1  0.508  0.725  0.275  1.0
  Al  Al7  1  0.275  0.492  0.508  1.0
  Al  Al8  1  0.725  0.508  0.492  1.0
  Al  Al9  1  0.500  0.500  0.000  1.0
  Al  Al10  1  0.000  0.000  0.500  1.0
  Cu  Cu11  1  0.000  0.500  0.000  1.0
  Cu  Cu12  1  0.500  0.000  0.500  1.0
[/CIF]
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The compound described by La(CuAl5)2 crystallizes in the orthorhombic Fmmm space group. La(1) is bonded in a 20-coordinate geometry to four equivalent Cu(1), four equivalent Al(1), four equivalent Al(3), and eight equivalent Al(2) atoms. Cu(1) is bonded in a 8-coordinate geometry to two equivalent La(1), four equivalent Al(1), and four equivalent Al(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one La(1), two equivalent Cu(1), one Al(1), two equivalent Al(3), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 2-coordinate geometry to two equivalent La(1), two equivalent Cu(1), two equivalent Al(3), and four equivalent Al(1) atoms. In the third Al site, Al(3) is bonded to two equivalent La(1), two equivalent Al(3), four equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of face and corner-sharing AlLa2Al10 cuboctahedra. is represented by the CIF file [CIF]
data_La(Al5Cu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.185
_cell_length_b   7.173
_cell_length_c   6.832
_cell_angle_alpha   81.927
_cell_angle_beta   50.640
_cell_angle_gamma   47.433
_symmetry_Int_Tables_number   1
_cell_volume   220.968
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.008  0.352  0.648  1.0
  Al  Al2  1  0.992  0.648  0.352  1.0
  Al  Al3  1  0.352  0.008  0.992  1.0
  Al  Al4  1  0.648  0.992  0.008  1.0
  Al  Al5  1  0.492  0.275  0.725  1.0
  Al  Al6  1  0.508  0.725  0.275  1.0
  Al  Al7  1  0.275  0.492  0.508  1.0
  Al  Al8  1  0.725  0.508  0.492  1.0
  Al  Al9  1  0.500  0.500  0.000  1.0
  Al  Al10  1  0.000  0.000  0.500  1.0
  Cu  Cu11  1  0.000  0.500  0.000  1.0
  Cu  Cu12  1  0.500  0.000  0.500  1.0
[/CIF]
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