The compound described by PdAl4Si crystallizes in the trigonal R-3m space group. Pd(1) is bonded in a body-centered cubic geometry to two equivalent Al(2) and six equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Pd(1) and one Si(1) atom to form distorted AlSiPd3 tetrahedra that share corners with six equivalent Al(2)Si3Pd tetrahedra, corners with ten equivalent Al(1)SiPd3 tetrahedra, edges with three equivalent Al(2)Si3Pd tetrahedra, and edges with three equivalent Al(1)SiPd3 tetrahedra. In the second Al site, Al(2) is bonded to one Pd(1) and three equivalent Si(1) atoms to form distorted AlSi3Pd tetrahedra that share corners with six equivalent Al(1)SiPd3 tetrahedra, corners with ten equivalent Al(2)Si3Pd tetrahedra, edges with three equivalent Al(2)Si3Pd tetrahedra, and edges with three equivalent Al(1)SiPd3 tetrahedra. Si(1) is bonded in a body-centered cubic geometry to two equivalent Al(1) and six equivalent Al(2) atoms. is represented by the CIF card [CIF]
data_Al4SiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.316
_cell_length_b   7.316
_cell_length_c   7.316
_cell_angle_alpha   33.728
_cell_angle_beta   33.728
_cell_angle_gamma   33.728
_symmetry_Int_Tables_number   1
_cell_volume   107.570
_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
  Al  Al0  1  0.630  0.630  0.630  1.0
  Al  Al1  1  0.120  0.120  0.120  1.0
  Al  Al2  1  0.880  0.880  0.880  1.0
  Al  Al3  1  0.370  0.370  0.370  1.0
  Si  Si4  1  0.500  0.500  0.500  1.0
  Pd  Pd5  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by PdAl4Si crystallizes in the trigonal R-3m space group. Pd(1) is bonded in a body-centered cubic geometry to two equivalent Al(2) and six equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Pd(1) and one Si(1) atom to form distorted AlSiPd3 tetrahedra that share corners with six equivalent Al(2)Si3Pd tetrahedra, corners with ten equivalent Al(1)SiPd3 tetrahedra, edges with three equivalent Al(2)Si3Pd tetrahedra, and edges with three equivalent Al(1)SiPd3 tetrahedra. In the second Al site, Al(2) is bonded to one Pd(1) and three equivalent Si(1) atoms to form distorted AlSi3Pd tetrahedra that share corners with six equivalent Al(1)SiPd3 tetrahedra, corners with ten equivalent Al(2)Si3Pd tetrahedra, edges with three equivalent Al(2)Si3Pd tetrahedra, and edges with three equivalent Al(1)SiPd3 tetrahedra. Si(1) is bonded in a body-centered cubic geometry to two equivalent Al(1) and six equivalent Al(2) atoms. is represented by the CIF card [CIF]
data_Al4SiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.316
_cell_length_b   7.316
_cell_length_c   7.316
_cell_angle_alpha   33.728
_cell_angle_beta   33.728
_cell_angle_gamma   33.728
_symmetry_Int_Tables_number   1
_cell_volume   107.570
_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
  Al  Al0  1  0.630  0.630  0.630  1.0
  Al  Al1  1  0.120  0.120  0.120  1.0
  Al  Al2  1  0.880  0.880  0.880  1.0
  Al  Al3  1  0.370  0.370  0.370  1.0
  Si  Si4  1  0.500  0.500  0.500  1.0
  Pd  Pd5  1  0.000  0.000  0.000  1.0
[/CIF]
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