The structure described by Pd2Si crystallizes in the hexagonal P-62m space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to two equivalent Si(1) and two equivalent Si(2) atoms to form a mixture of distorted edge and corner-sharing PdSi4 tetrahedra. In the second Pd site, Pd(2) is bonded in a 5-coordinate geometry to one Si(2) and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to three equivalent Pd(1) and six equivalent Pd(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Pd(2) and six equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_SiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.478
_cell_length_b   6.478
_cell_length_c   3.505
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.011
_symmetry_Int_Tables_number   1
_cell_volume   127.372
_cell_formula_units_Z   3
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
  Si  Si0  1  0.667  0.333  0.000  1.0
  Si  Si1  1  0.333  0.667  0.000  1.0
  Si  Si2  1  0.000  0.000  0.500  1.0
  Pd  Pd3  1  0.735  0.735  0.000  1.0
  Pd  Pd4  1  0.265  0.000  0.000  1.0
  Pd  Pd5  1  0.000  0.265  0.000  1.0
  Pd  Pd6  1  0.393  0.393  0.500  1.0
  Pd  Pd7  1  0.607  1.000  0.500  1.0
  Pd  Pd8  1  1.000  0.607  0.500  1.0
[/CIF]
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The structure described by Pd2Si crystallizes in the hexagonal P-62m space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to two equivalent Si(1) and two equivalent Si(2) atoms to form a mixture of distorted edge and corner-sharing PdSi4 tetrahedra. In the second Pd site, Pd(2) is bonded in a 5-coordinate geometry to one Si(2) and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to three equivalent Pd(1) and six equivalent Pd(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Pd(2) and six equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_SiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.478
_cell_length_b   6.478
_cell_length_c   3.505
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.011
_symmetry_Int_Tables_number   1
_cell_volume   127.372
_cell_formula_units_Z   3
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
  Si  Si0  1  0.667  0.333  0.000  1.0
  Si  Si1  1  0.333  0.667  0.000  1.0
  Si  Si2  1  0.000  0.000  0.500  1.0
  Pd  Pd3  1  0.735  0.735  0.000  1.0
  Pd  Pd4  1  0.265  0.000  0.000  1.0
  Pd  Pd5  1  0.000  0.265  0.000  1.0
  Pd  Pd6  1  0.393  0.393  0.500  1.0
  Pd  Pd7  1  0.607  1.000  0.500  1.0
  Pd  Pd8  1  1.000  0.607  0.500  1.0
[/CIF]
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