The material structure described by Pd3Sn crystallizes in the trigonal R-3m space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 3-coordinate geometry to three equivalent Pd(2) and three equivalent Sn(1) atoms. In the second Pd site, Pd(2) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form a mixture of corner, face, and edge-sharing PdPd12 cuboctahedra. Sn(1) is bonded in a 6-coordinate geometry to six equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_SnPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.085
_cell_length_b   3.085
_cell_length_c   8.677
_cell_angle_alpha   79.759
_cell_angle_beta   100.241
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   70.017
_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
  Sn  Sn0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.748  0.252  0.244  1.0
  Pd  Pd2  1  0.500  0.500  0.500  1.0
  Pd  Pd3  1  0.252  0.748  0.756  1.0
[/CIF]
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The material structure described by Pd3Sn crystallizes in the trigonal R-3m space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 3-coordinate geometry to three equivalent Pd(2) and three equivalent Sn(1) atoms. In the second Pd site, Pd(2) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form a mixture of corner, face, and edge-sharing PdPd12 cuboctahedra. Sn(1) is bonded in a 6-coordinate geometry to six equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_SnPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.085
_cell_length_b   3.085
_cell_length_c   8.677
_cell_angle_alpha   79.759
_cell_angle_beta   100.241
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   70.017
_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
  Sn  Sn0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.748  0.252  0.244  1.0
  Pd  Pd2  1  0.500  0.500  0.500  1.0
  Pd  Pd3  1  0.252  0.748  0.756  1.0
[/CIF]
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