The crystal structure described by Zr4Pd crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to four equivalent Zr(2) and four equivalent Pd(1) atoms. In the second Zr site, Zr(2) is bonded to four equivalent Zr(1) and eight equivalent Zr(2) atoms to form a mixture of face, corner, and edge-sharing ZrZr12 cuboctahedra. Pd(1) is bonded in a body-centered cubic geometry to eight equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_Zr4Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.152
_cell_length_b   10.152
_cell_length_c   10.152
_cell_angle_alpha   161.318
_cell_angle_beta   161.318
_cell_angle_gamma   26.539
_symmetry_Int_Tables_number   1
_cell_volume   107.315
_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
  Zr  Zr0  1  0.412  0.412  0.000  1.0
  Zr  Zr1  1  0.805  0.805  0.000  1.0
  Zr  Zr2  1  0.195  0.195  0.000  1.0
  Zr  Zr3  1  0.588  0.588  0.000  1.0
  Pd  Pd4  1  0.000  0.000  0.000  1.0
[/CIF]
.
The crystal structure described by Zr4Pd crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to four equivalent Zr(2) and four equivalent Pd(1) atoms. In the second Zr site, Zr(2) is bonded to four equivalent Zr(1) and eight equivalent Zr(2) atoms to form a mixture of face, corner, and edge-sharing ZrZr12 cuboctahedra. Pd(1) is bonded in a body-centered cubic geometry to eight equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_Zr4Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.152
_cell_length_b   10.152
_cell_length_c   10.152
_cell_angle_alpha   161.318
_cell_angle_beta   161.318
_cell_angle_gamma   26.539
_symmetry_Int_Tables_number   1
_cell_volume   107.315
_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
  Zr  Zr0  1  0.412  0.412  0.000  1.0
  Zr  Zr1  1  0.805  0.805  0.000  1.0
  Zr  Zr2  1  0.195  0.195  0.000  1.0
  Zr  Zr3  1  0.588  0.588  0.000  1.0
  Pd  Pd4  1  0.000  0.000  0.000  1.0
[/CIF]
.