The material structure described by PdZn2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Pd(1) is bonded to four equivalent O(1) atoms to form PdO4 tetrahedra that share corners with twelve equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Pd(1)O4 tetrahedra and edges with six equivalent Zn(1)O6 octahedra. O(1) is bonded to one Pd(1) and three equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing OZn3Pd trigonal pyramids. is represented by the CIF file [CIF]
data_Zn2PdO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.145
_cell_length_b   6.145
_cell_length_c   6.145
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   164.090
_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  0.125  0.125  0.125  1.0
  Zn  Zn1  1  0.625  0.125  0.125  1.0
  Zn  Zn2  1  0.125  0.125  0.625  1.0
  Zn  Zn3  1  0.125  0.625  0.125  1.0
  Pd  Pd4  1  0.500  0.500  0.500  1.0
  Pd  Pd5  1  0.750  0.750  0.750  1.0
  O  O6  1  0.366  0.366  0.366  1.0
  O  O7  1  0.347  0.884  0.884  1.0
  O  O8  1  0.884  0.884  0.347  1.0
  O  O9  1  0.884  0.347  0.884  1.0
  O  O10  1  0.366  0.366  0.903  1.0
  O  O11  1  0.366  0.903  0.366  1.0
  O  O12  1  0.884  0.884  0.884  1.0
  O  O13  1  0.903  0.366  0.366  1.0
[/CIF]
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The material structure described by PdZn2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Pd(1) is bonded to four equivalent O(1) atoms to form PdO4 tetrahedra that share corners with twelve equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Pd(1)O4 tetrahedra and edges with six equivalent Zn(1)O6 octahedra. O(1) is bonded to one Pd(1) and three equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing OZn3Pd trigonal pyramids. is represented by the CIF file [CIF]
data_Zn2PdO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.145
_cell_length_b   6.145
_cell_length_c   6.145
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   164.090
_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  0.125  0.125  0.125  1.0
  Zn  Zn1  1  0.625  0.125  0.125  1.0
  Zn  Zn2  1  0.125  0.125  0.625  1.0
  Zn  Zn3  1  0.125  0.625  0.125  1.0
  Pd  Pd4  1  0.500  0.500  0.500  1.0
  Pd  Pd5  1  0.750  0.750  0.750  1.0
  O  O6  1  0.366  0.366  0.366  1.0
  O  O7  1  0.347  0.884  0.884  1.0
  O  O8  1  0.884  0.884  0.347  1.0
  O  O9  1  0.884  0.347  0.884  1.0
  O  O10  1  0.366  0.366  0.903  1.0
  O  O11  1  0.366  0.903  0.366  1.0
  O  O12  1  0.884  0.884  0.884  1.0
  O  O13  1  0.903  0.366  0.366  1.0
[/CIF]
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