The structure described by Pd2Zn crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 4-coordinate geometry to four equivalent Pd(3) and four equivalent Zn(1) atoms. In the second Pd site, Pd(2) is bonded in a body-centered cubic geometry to eight equivalent Zn(1) atoms. In the third Pd site, Pd(3) is bonded to four equivalent Pd(3) and eight equivalent Pd(1) atoms to form a mixture of corner and face-sharing PdPd12 cuboctahedra. Zn(1) is bonded in a body-centered cubic geometry to four equivalent Pd(1) and four equivalent Pd(2) atoms. is represented by the CIF card [CIF]
data_ZnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.890
_cell_length_b   2.890
_cell_length_c   10.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   85.962
_cell_formula_units_Z   2
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  0.500  0.500  0.336  1.0
  Zn  Zn1  1  0.500  0.500  0.664  1.0
  Pd  Pd2  1  0.000  0.000  0.815  1.0
  Pd  Pd3  1  0.000  0.000  0.185  1.0
  Pd  Pd4  1  0.000  0.000  0.500  1.0
  Pd  Pd5  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by Pd2Zn crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 4-coordinate geometry to four equivalent Pd(3) and four equivalent Zn(1) atoms. In the second Pd site, Pd(2) is bonded in a body-centered cubic geometry to eight equivalent Zn(1) atoms. In the third Pd site, Pd(3) is bonded to four equivalent Pd(3) and eight equivalent Pd(1) atoms to form a mixture of corner and face-sharing PdPd12 cuboctahedra. Zn(1) is bonded in a body-centered cubic geometry to four equivalent Pd(1) and four equivalent Pd(2) atoms. is represented by the CIF card [CIF]
data_ZnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.890
_cell_length_b   2.890
_cell_length_c   10.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   85.962
_cell_formula_units_Z   2
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  0.500  0.500  0.336  1.0
  Zn  Zn1  1  0.500  0.500  0.664  1.0
  Pd  Pd2  1  0.000  0.000  0.815  1.0
  Pd  Pd3  1  0.000  0.000  0.185  1.0
  Pd  Pd4  1  0.000  0.000  0.500  1.0
  Pd  Pd5  1  0.500  0.500  0.000  1.0
[/CIF]
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