The structure described by Ce2Pd3Al11 crystallizes in the tetragonal P4mm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 16-coordinate geometry to four equivalent Al(2), four equivalent Al(3), four equivalent Al(5), and four equivalent Al(6) atoms. In the second Ce site, Ce(2) is bonded in a 16-coordinate geometry to four equivalent Pd(3), four equivalent Al(1), four equivalent Al(4), and four equivalent Al(7) atoms. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a body-centered cubic geometry to four equivalent Al(1) and four equivalent Al(3) atoms. In the second Pd site, Pd(2) is bonded in a body-centered cubic geometry to four equivalent Al(2) and four equivalent Al(4) atoms. In the third Pd site, Pd(3) is bonded in a 9-coordinate geometry to four equivalent Ce(2), one Al(7), and four equivalent Al(1) atoms. There are seven inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Ce(2), two equivalent Pd(1), and two equivalent Pd(3) atoms to form a mixture of corner, face, and edge-sharing AlCe2Pd4 tetrahedra. In the second Al site, Al(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Ce(1), two equivalent Pd(2), and two equivalent Al(5) atoms. In the third Al site, Al(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ce(1), two equivalent Pd(1), and two equivalent Al(6) atoms. In the fourth Al site, Al(4) is bonded in a distorted water-like geometry to two equivalent Ce(2) and two equivalent Pd(2) atoms. In the fifth Al site, Al(5) is bonded in a 9-coordinate geometry to four equivalent Ce(1), one Al(6), and four equivalent Al(2) atoms. In the sixth Al site, Al(6) is bonded in a 9-coordinate geometry to four equivalent Ce(1), one Al(5), and four equivalent Al(3) atoms. In the seventh Al site, Al(7) is bonded in a distorted single-bond geometry to four equivalent Ce(2) and one Pd(3) atom. is represented by the CIF file [CIF]
data_Ce2Al11Pd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.263
_cell_length_b   4.263
_cell_length_c   16.898
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   307.059
_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
  Ce  Ce1  1  0.000  0.000  0.502  1.0
  Al  Al2  1  0.500  0.000  0.338  1.0
  Al  Al3  1  0.500  0.000  0.834  1.0
  Al  Al4  1  0.000  0.500  0.338  1.0
  Al  Al5  1  0.000  0.500  0.834  1.0
  Al  Al6  1  0.500  0.000  0.166  1.0
  Al  Al7  1  0.500  0.000  0.666  1.0
  Al  Al8  1  0.000  0.500  0.166  1.0
  Al  Al9  1  0.000  0.500  0.666  1.0
  Al  Al10  1  0.500  0.500  0.927  1.0
  Al  Al11  1  0.500  0.500  0.073  1.0
  Al  Al12  1  0.500  0.500  0.569  1.0
  Pd  Pd13  1  0.000  0.000  0.248  1.0
  Pd  Pd14  1  0.000  0.000  0.751  1.0
  Pd  Pd15  1  0.500  0.500  0.423  1.0
[/CIF]
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The structure described by Ce2Pd3Al11 crystallizes in the tetragonal P4mm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 16-coordinate geometry to four equivalent Al(2), four equivalent Al(3), four equivalent Al(5), and four equivalent Al(6) atoms. In the second Ce site, Ce(2) is bonded in a 16-coordinate geometry to four equivalent Pd(3), four equivalent Al(1), four equivalent Al(4), and four equivalent Al(7) atoms. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a body-centered cubic geometry to four equivalent Al(1) and four equivalent Al(3) atoms. In the second Pd site, Pd(2) is bonded in a body-centered cubic geometry to four equivalent Al(2) and four equivalent Al(4) atoms. In the third Pd site, Pd(3) is bonded in a 9-coordinate geometry to four equivalent Ce(2), one Al(7), and four equivalent Al(1) atoms. There are seven inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Ce(2), two equivalent Pd(1), and two equivalent Pd(3) atoms to form a mixture of corner, face, and edge-sharing AlCe2Pd4 tetrahedra. In the second Al site, Al(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Ce(1), two equivalent Pd(2), and two equivalent Al(5) atoms. In the third Al site, Al(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ce(1), two equivalent Pd(1), and two equivalent Al(6) atoms. In the fourth Al site, Al(4) is bonded in a distorted water-like geometry to two equivalent Ce(2) and two equivalent Pd(2) atoms. In the fifth Al site, Al(5) is bonded in a 9-coordinate geometry to four equivalent Ce(1), one Al(6), and four equivalent Al(2) atoms. In the sixth Al site, Al(6) is bonded in a 9-coordinate geometry to four equivalent Ce(1), one Al(5), and four equivalent Al(3) atoms. In the seventh Al site, Al(7) is bonded in a distorted single-bond geometry to four equivalent Ce(2) and one Pd(3) atom. is represented by the CIF file [CIF]
data_Ce2Al11Pd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.263
_cell_length_b   4.263
_cell_length_c   16.898
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   307.059
_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
  Ce  Ce1  1  0.000  0.000  0.502  1.0
  Al  Al2  1  0.500  0.000  0.338  1.0
  Al  Al3  1  0.500  0.000  0.834  1.0
  Al  Al4  1  0.000  0.500  0.338  1.0
  Al  Al5  1  0.000  0.500  0.834  1.0
  Al  Al6  1  0.500  0.000  0.166  1.0
  Al  Al7  1  0.500  0.000  0.666  1.0
  Al  Al8  1  0.000  0.500  0.166  1.0
  Al  Al9  1  0.000  0.500  0.666  1.0
  Al  Al10  1  0.500  0.500  0.927  1.0
  Al  Al11  1  0.500  0.500  0.073  1.0
  Al  Al12  1  0.500  0.500  0.569  1.0
  Pd  Pd13  1  0.000  0.000  0.248  1.0
  Pd  Pd14  1  0.000  0.000  0.751  1.0
  Pd  Pd15  1  0.500  0.500  0.423  1.0
[/CIF]
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