The material structure described by CeCu2Al4Si crystallizes in the orthorhombic Pmm2 space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Cu(2), two equivalent Al(1), two equivalent Al(2), two equivalent Al(3), four equivalent Al(4), and two equivalent Si(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted body-centered cubic geometry to two equivalent Al(1), two equivalent Al(2), two equivalent Al(3), and two equivalent Si(1) atoms. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to four equivalent Ce(1), one Al(4), two equivalent Al(2), and two equivalent Al(3) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ce(1), two equivalent Cu(1), two equivalent Al(4), and four equivalent Si(1) atoms. In the second Al site, Al(2) is bonded in a 5-coordinate geometry to two equivalent Ce(1), two equivalent Cu(1), two equivalent Cu(2), and one Si(1) atom. In the third Al site, Al(3) is bonded to two equivalent Ce(1), two equivalent Cu(1), and two equivalent Cu(2) atoms to form a mixture of distorted corner and edge-sharing AlCe2Cu4 tetrahedra. In the fourth Al site, Al(4) is bonded in a 9-coordinate geometry to four equivalent Ce(1), one Cu(2), two equivalent Al(1), and two equivalent Si(1) atoms. Si(1) is bonded in a 11-coordinate geometry to two equivalent Ce(1), two equivalent Cu(1), one Al(2), two equivalent Al(4), and four equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_CeAl4Cu2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.225
_cell_length_b   4.224
_cell_length_c   7.837
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   139.840
_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  0.000  0.000  0.999  1.0
  Al  Al1  1  0.000  0.500  0.665  1.0
  Al  Al2  1  0.500  0.000  0.323  1.0
  Al  Al3  1  0.000  0.500  0.319  1.0
  Al  Al4  1  0.500  0.500  0.861  1.0
  Cu  Cu5  1  0.000  0.000  0.505  1.0
  Cu  Cu6  1  0.500  0.500  0.159  1.0
  Si  Si7  1  0.500  0.000  0.670  1.0
[/CIF]
.
The material structure described by CeCu2Al4Si crystallizes in the orthorhombic Pmm2 space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Cu(2), two equivalent Al(1), two equivalent Al(2), two equivalent Al(3), four equivalent Al(4), and two equivalent Si(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted body-centered cubic geometry to two equivalent Al(1), two equivalent Al(2), two equivalent Al(3), and two equivalent Si(1) atoms. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to four equivalent Ce(1), one Al(4), two equivalent Al(2), and two equivalent Al(3) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ce(1), two equivalent Cu(1), two equivalent Al(4), and four equivalent Si(1) atoms. In the second Al site, Al(2) is bonded in a 5-coordinate geometry to two equivalent Ce(1), two equivalent Cu(1), two equivalent Cu(2), and one Si(1) atom. In the third Al site, Al(3) is bonded to two equivalent Ce(1), two equivalent Cu(1), and two equivalent Cu(2) atoms to form a mixture of distorted corner and edge-sharing AlCe2Cu4 tetrahedra. In the fourth Al site, Al(4) is bonded in a 9-coordinate geometry to four equivalent Ce(1), one Cu(2), two equivalent Al(1), and two equivalent Si(1) atoms. Si(1) is bonded in a 11-coordinate geometry to two equivalent Ce(1), two equivalent Cu(1), one Al(2), two equivalent Al(4), and four equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_CeAl4Cu2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.225
_cell_length_b   4.224
_cell_length_c   7.837
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   139.840
_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  0.000  0.000  0.999  1.0
  Al  Al1  1  0.000  0.500  0.665  1.0
  Al  Al2  1  0.500  0.000  0.323  1.0
  Al  Al3  1  0.000  0.500  0.319  1.0
  Al  Al4  1  0.500  0.500  0.861  1.0
  Cu  Cu5  1  0.000  0.000  0.505  1.0
  Cu  Cu6  1  0.500  0.500  0.159  1.0
  Si  Si7  1  0.500  0.000  0.670  1.0
[/CIF]
.