The crystal structure described by Pd4Zn crystallizes in the trigonal R-3m space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to three equivalent Pd(2) and three equivalent Zn(1) atoms to form distorted PdZn3Pd3 cuboctahedra that share corners with three equivalent Pd(1)Zn3Pd3 cuboctahedra, corners with nine equivalent Pd(2)Pd12 cuboctahedra, edges with nine equivalent Pd(2)Pd12 cuboctahedra, and edges with nine equivalent Pd(1)Zn3Pd3 cuboctahedra. In the second Pd site, Pd(2) is bonded to three equivalent Pd(1) and nine equivalent Pd(2) atoms to form PdPd12 cuboctahedra that share corners with six equivalent Pd(2)Pd12 cuboctahedra, corners with nine equivalent Pd(1)Zn3Pd3 cuboctahedra, edges with nine equivalent Pd(1)Zn3Pd3 cuboctahedra, edges with twelve equivalent Pd(2)Pd12 cuboctahedra, and faces with twelve equivalent Pd(2)Pd12 cuboctahedra. Zn(1) is bonded in a 6-coordinate geometry to six equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_ZnPd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.080
_cell_length_b   11.080
_cell_length_c   11.080
_cell_angle_alpha   14.661
_cell_angle_beta   14.661
_cell_angle_gamma   14.661
_symmetry_Int_Tables_number   1
_cell_volume   75.872
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.604  0.604  0.604  1.0
  Pd  Pd2  1  0.201  0.201  0.201  1.0
  Pd  Pd3  1  0.799  0.799  0.799  1.0
  Pd  Pd4  1  0.396  0.396  0.396  1.0
[/CIF]
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The crystal structure described by Pd4Zn crystallizes in the trigonal R-3m space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to three equivalent Pd(2) and three equivalent Zn(1) atoms to form distorted PdZn3Pd3 cuboctahedra that share corners with three equivalent Pd(1)Zn3Pd3 cuboctahedra, corners with nine equivalent Pd(2)Pd12 cuboctahedra, edges with nine equivalent Pd(2)Pd12 cuboctahedra, and edges with nine equivalent Pd(1)Zn3Pd3 cuboctahedra. In the second Pd site, Pd(2) is bonded to three equivalent Pd(1) and nine equivalent Pd(2) atoms to form PdPd12 cuboctahedra that share corners with six equivalent Pd(2)Pd12 cuboctahedra, corners with nine equivalent Pd(1)Zn3Pd3 cuboctahedra, edges with nine equivalent Pd(1)Zn3Pd3 cuboctahedra, edges with twelve equivalent Pd(2)Pd12 cuboctahedra, and faces with twelve equivalent Pd(2)Pd12 cuboctahedra. Zn(1) is bonded in a 6-coordinate geometry to six equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_ZnPd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.080
_cell_length_b   11.080
_cell_length_c   11.080
_cell_angle_alpha   14.661
_cell_angle_beta   14.661
_cell_angle_gamma   14.661
_symmetry_Int_Tables_number   1
_cell_volume   75.872
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.604  0.604  0.604  1.0
  Pd  Pd2  1  0.201  0.201  0.201  1.0
  Pd  Pd3  1  0.799  0.799  0.799  1.0
  Pd  Pd4  1  0.396  0.396  0.396  1.0
[/CIF]
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