The material described by PdZn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Pd(1) is bonded to four equivalent Zn(2) and eight equivalent Zn(1) atoms to form PdZn12 cuboctahedra that share corners with four equivalent Pd(1)Zn12 cuboctahedra, edges with eight equivalent Pd(1)Zn12 cuboctahedra, edges with sixteen equivalent Zn(1)Zn8Pd4 cuboctahedra, faces with four equivalent Pd(1)Zn12 cuboctahedra, and faces with eight equivalent Zn(1)Zn8Pd4 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Pd(1), four equivalent Zn(1), and four equivalent Zn(2) atoms to form distorted ZnZn8Pd4 cuboctahedra that share corners with twelve equivalent Zn(1)Zn8Pd4 cuboctahedra, edges with eight equivalent Pd(1)Zn12 cuboctahedra, edges with eight equivalent Zn(1)Zn8Pd4 cuboctahedra, faces with four equivalent Pd(1)Zn12 cuboctahedra, and faces with ten equivalent Zn(1)Zn8Pd4 cuboctahedra. In the second Zn site, Zn(2) is bonded in a distorted square co-planar geometry to four equivalent Pd(1) and eight equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_Zn3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.820
_cell_length_b   4.820
_cell_length_c   4.820
_cell_angle_alpha   134.720
_cell_angle_beta   134.720
_cell_angle_gamma   65.966
_symmetry_Int_Tables_number   1
_cell_volume   55.668
_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  0.750  0.250  0.500  1.0
  Zn  Zn1  1  0.250  0.750  0.500  1.0
  Zn  Zn2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by PdZn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Pd(1) is bonded to four equivalent Zn(2) and eight equivalent Zn(1) atoms to form PdZn12 cuboctahedra that share corners with four equivalent Pd(1)Zn12 cuboctahedra, edges with eight equivalent Pd(1)Zn12 cuboctahedra, edges with sixteen equivalent Zn(1)Zn8Pd4 cuboctahedra, faces with four equivalent Pd(1)Zn12 cuboctahedra, and faces with eight equivalent Zn(1)Zn8Pd4 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Pd(1), four equivalent Zn(1), and four equivalent Zn(2) atoms to form distorted ZnZn8Pd4 cuboctahedra that share corners with twelve equivalent Zn(1)Zn8Pd4 cuboctahedra, edges with eight equivalent Pd(1)Zn12 cuboctahedra, edges with eight equivalent Zn(1)Zn8Pd4 cuboctahedra, faces with four equivalent Pd(1)Zn12 cuboctahedra, and faces with ten equivalent Zn(1)Zn8Pd4 cuboctahedra. In the second Zn site, Zn(2) is bonded in a distorted square co-planar geometry to four equivalent Pd(1) and eight equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_Zn3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.820
_cell_length_b   4.820
_cell_length_c   4.820
_cell_angle_alpha   134.720
_cell_angle_beta   134.720
_cell_angle_gamma   65.966
_symmetry_Int_Tables_number   1
_cell_volume   55.668
_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  0.750  0.250  0.500  1.0
  Zn  Zn1  1  0.250  0.750  0.500  1.0
  Zn  Zn2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
[/CIF]
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