The material described by Pd3Zn is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent Pd(1), four equivalent Pd(2), and four equivalent Zn(1) atoms to form distorted PdZn4Pd8 cuboctahedra that share corners with twelve equivalent Pd(1)Zn4Pd8 cuboctahedra, edges with eight equivalent Pd(1)Zn4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Zn4Pd8 cuboctahedra, edges with eight equivalent Zn(1)Pd12 cuboctahedra, faces with four equivalent Pd(2)Zn4Pd8 cuboctahedra, faces with four equivalent Zn(1)Pd12 cuboctahedra, and faces with ten equivalent Pd(1)Zn4Pd8 cuboctahedra. In the second Pd site, Pd(2) is bonded to eight equivalent Pd(1) and four equivalent Zn(1) atoms to form distorted PdZn4Pd8 cuboctahedra that share corners with four equivalent Pd(2)Zn4Pd8 cuboctahedra, corners with eight equivalent Zn(1)Pd12 cuboctahedra, edges with eight equivalent Pd(2)Zn4Pd8 cuboctahedra, edges with sixteen equivalent Pd(1)Zn4Pd8 cuboctahedra, faces with four equivalent Pd(2)Zn4Pd8 cuboctahedra, faces with six equivalent Zn(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(1)Zn4Pd8 cuboctahedra. Zn(1) is bonded to four equivalent Pd(2) and eight equivalent Pd(1) atoms to form ZnPd12 cuboctahedra that share corners with four equivalent Zn(1)Pd12 cuboctahedra, corners with eight equivalent Pd(2)Zn4Pd8 cuboctahedra, edges with eight equivalent Zn(1)Pd12 cuboctahedra, edges with sixteen equivalent Pd(1)Zn4Pd8 cuboctahedra, faces with four equivalent Zn(1)Pd12 cuboctahedra, faces with six equivalent Pd(2)Zn4Pd8 cuboctahedra, and faces with eight equivalent Pd(1)Zn4Pd8 cuboctahedra. is represented by the CIF file [CIF]
data_ZnPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.718
_cell_length_b   4.718
_cell_length_c   4.718
_cell_angle_alpha   131.074
_cell_angle_beta   131.074
_cell_angle_gamma   71.696
_symmetry_Int_Tables_number   1
_cell_volume   58.398
_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  0.750  0.250  0.500  1.0
  Pd  Pd2  1  0.250  0.750  0.500  1.0
  Pd  Pd3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material described by Pd3Zn is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent Pd(1), four equivalent Pd(2), and four equivalent Zn(1) atoms to form distorted PdZn4Pd8 cuboctahedra that share corners with twelve equivalent Pd(1)Zn4Pd8 cuboctahedra, edges with eight equivalent Pd(1)Zn4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Zn4Pd8 cuboctahedra, edges with eight equivalent Zn(1)Pd12 cuboctahedra, faces with four equivalent Pd(2)Zn4Pd8 cuboctahedra, faces with four equivalent Zn(1)Pd12 cuboctahedra, and faces with ten equivalent Pd(1)Zn4Pd8 cuboctahedra. In the second Pd site, Pd(2) is bonded to eight equivalent Pd(1) and four equivalent Zn(1) atoms to form distorted PdZn4Pd8 cuboctahedra that share corners with four equivalent Pd(2)Zn4Pd8 cuboctahedra, corners with eight equivalent Zn(1)Pd12 cuboctahedra, edges with eight equivalent Pd(2)Zn4Pd8 cuboctahedra, edges with sixteen equivalent Pd(1)Zn4Pd8 cuboctahedra, faces with four equivalent Pd(2)Zn4Pd8 cuboctahedra, faces with six equivalent Zn(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(1)Zn4Pd8 cuboctahedra. Zn(1) is bonded to four equivalent Pd(2) and eight equivalent Pd(1) atoms to form ZnPd12 cuboctahedra that share corners with four equivalent Zn(1)Pd12 cuboctahedra, corners with eight equivalent Pd(2)Zn4Pd8 cuboctahedra, edges with eight equivalent Zn(1)Pd12 cuboctahedra, edges with sixteen equivalent Pd(1)Zn4Pd8 cuboctahedra, faces with four equivalent Zn(1)Pd12 cuboctahedra, faces with six equivalent Pd(2)Zn4Pd8 cuboctahedra, and faces with eight equivalent Pd(1)Zn4Pd8 cuboctahedra. is represented by the CIF file [CIF]
data_ZnPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.718
_cell_length_b   4.718
_cell_length_c   4.718
_cell_angle_alpha   131.074
_cell_angle_beta   131.074
_cell_angle_gamma   71.696
_symmetry_Int_Tables_number   1
_cell_volume   58.398
_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  0.750  0.250  0.500  1.0
  Pd  Pd2  1  0.250  0.750  0.500  1.0
  Pd  Pd3  1  0.500  0.500  0.000  1.0
[/CIF]
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