The material structure described by CePd2Al2 crystallizes in the tetragonal P4/nmm space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Pd(1), four equivalent Pd(2), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), one Al(1), and four equivalent Al(2) atoms. In the second Pd site, Pd(2) is bonded to four equivalent Ce(1) and four equivalent Al(1) atoms to form distorted PdCe4Al4 tetrahedra that share corners with twelve equivalent Al(2)Ce4Pd4 tetrahedra, edges with two equivalent Al(2)Ce4Pd4 tetrahedra, edges with four equivalent Pd(2)Ce4Al4 tetrahedra, and faces with four equivalent Pd(2)Ce4Al4 tetrahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to four equivalent Ce(1), one Pd(1), and four equivalent Pd(2) atoms. In the second Al site, Al(2) is bonded to four equivalent Ce(1) and four equivalent Pd(1) atoms to form distorted AlCe4Pd4 tetrahedra that share corners with twelve equivalent Pd(2)Ce4Al4 tetrahedra, edges with two equivalent Pd(2)Ce4Al4 tetrahedra, edges with four equivalent Al(2)Ce4Pd4 tetrahedra, and faces with four equivalent Al(2)Ce4Pd4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce(AlPd)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.309
_cell_length_b   4.309
_cell_length_c   10.383
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   192.762
_cell_formula_units_Z   2
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  0.500  0.249  1.0
  Ce  Ce1  1  0.500  0.000  0.751  1.0
  Al  Al2  1  0.000  0.500  0.625  1.0
  Al  Al3  1  0.500  0.000  0.375  1.0
  Al  Al4  1  0.000  0.000  0.000  1.0
  Al  Al5  1  0.500  0.500  0.000  1.0
  Pd  Pd6  1  0.000  0.500  0.868  1.0
  Pd  Pd7  1  0.500  0.000  0.132  1.0
  Pd  Pd8  1  0.000  0.000  0.500  1.0
  Pd  Pd9  1  0.500  0.500  0.500  1.0
[/CIF]
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The material structure described by CePd2Al2 crystallizes in the tetragonal P4/nmm space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Pd(1), four equivalent Pd(2), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), one Al(1), and four equivalent Al(2) atoms. In the second Pd site, Pd(2) is bonded to four equivalent Ce(1) and four equivalent Al(1) atoms to form distorted PdCe4Al4 tetrahedra that share corners with twelve equivalent Al(2)Ce4Pd4 tetrahedra, edges with two equivalent Al(2)Ce4Pd4 tetrahedra, edges with four equivalent Pd(2)Ce4Al4 tetrahedra, and faces with four equivalent Pd(2)Ce4Al4 tetrahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to four equivalent Ce(1), one Pd(1), and four equivalent Pd(2) atoms. In the second Al site, Al(2) is bonded to four equivalent Ce(1) and four equivalent Pd(1) atoms to form distorted AlCe4Pd4 tetrahedra that share corners with twelve equivalent Pd(2)Ce4Al4 tetrahedra, edges with two equivalent Pd(2)Ce4Al4 tetrahedra, edges with four equivalent Al(2)Ce4Pd4 tetrahedra, and faces with four equivalent Al(2)Ce4Pd4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce(AlPd)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.309
_cell_length_b   4.309
_cell_length_c   10.383
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   192.762
_cell_formula_units_Z   2
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  0.500  0.249  1.0
  Ce  Ce1  1  0.500  0.000  0.751  1.0
  Al  Al2  1  0.000  0.500  0.625  1.0
  Al  Al3  1  0.500  0.000  0.375  1.0
  Al  Al4  1  0.000  0.000  0.000  1.0
  Al  Al5  1  0.500  0.500  0.000  1.0
  Pd  Pd6  1  0.000  0.500  0.868  1.0
  Pd  Pd7  1  0.500  0.000  0.132  1.0
  Pd  Pd8  1  0.000  0.000  0.500  1.0
  Pd  Pd9  1  0.500  0.500  0.500  1.0
[/CIF]
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