The material described by Pd3Cd 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 Cd(1) atoms to form distorted PdCd4Pd8 cuboctahedra that share corners with twelve equivalent Pd(1)Cd4Pd8 cuboctahedra, edges with eight equivalent Pd(1)Cd4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Cd4Pd8 cuboctahedra, edges with eight equivalent Cd(1)Pd12 cuboctahedra, faces with four equivalent Pd(2)Cd4Pd8 cuboctahedra, faces with four equivalent Cd(1)Pd12 cuboctahedra, and faces with ten equivalent Pd(1)Cd4Pd8 cuboctahedra. In the second Pd site, Pd(2) is bonded to eight equivalent Pd(1) and four equivalent Cd(1) atoms to form distorted PdCd4Pd8 cuboctahedra that share corners with four equivalent Pd(2)Cd4Pd8 cuboctahedra, corners with eight equivalent Cd(1)Pd12 cuboctahedra, edges with eight equivalent Pd(2)Cd4Pd8 cuboctahedra, edges with sixteen equivalent Pd(1)Cd4Pd8 cuboctahedra, faces with four equivalent Pd(2)Cd4Pd8 cuboctahedra, faces with six equivalent Cd(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(1)Cd4Pd8 cuboctahedra. Cd(1) is bonded to four equivalent Pd(2) and eight equivalent Pd(1) atoms to form CdPd12 cuboctahedra that share corners with four equivalent Cd(1)Pd12 cuboctahedra, corners with eight equivalent Pd(2)Cd4Pd8 cuboctahedra, edges with eight equivalent Cd(1)Pd12 cuboctahedra, edges with sixteen equivalent Pd(1)Cd4Pd8 cuboctahedra, faces with four equivalent Cd(1)Pd12 cuboctahedra, faces with six equivalent Pd(2)Cd4Pd8 cuboctahedra, and faces with eight equivalent Pd(1)Cd4Pd8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.885
_cell_length_b   4.885
_cell_length_c   4.885
_cell_angle_alpha   131.557
_cell_angle_beta   131.557
_cell_angle_gamma   70.929
_symmetry_Int_Tables_number   1
_cell_volume   63.919
_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
  Cd  Cd0  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 Pd3Cd 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 Cd(1) atoms to form distorted PdCd4Pd8 cuboctahedra that share corners with twelve equivalent Pd(1)Cd4Pd8 cuboctahedra, edges with eight equivalent Pd(1)Cd4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Cd4Pd8 cuboctahedra, edges with eight equivalent Cd(1)Pd12 cuboctahedra, faces with four equivalent Pd(2)Cd4Pd8 cuboctahedra, faces with four equivalent Cd(1)Pd12 cuboctahedra, and faces with ten equivalent Pd(1)Cd4Pd8 cuboctahedra. In the second Pd site, Pd(2) is bonded to eight equivalent Pd(1) and four equivalent Cd(1) atoms to form distorted PdCd4Pd8 cuboctahedra that share corners with four equivalent Pd(2)Cd4Pd8 cuboctahedra, corners with eight equivalent Cd(1)Pd12 cuboctahedra, edges with eight equivalent Pd(2)Cd4Pd8 cuboctahedra, edges with sixteen equivalent Pd(1)Cd4Pd8 cuboctahedra, faces with four equivalent Pd(2)Cd4Pd8 cuboctahedra, faces with six equivalent Cd(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(1)Cd4Pd8 cuboctahedra. Cd(1) is bonded to four equivalent Pd(2) and eight equivalent Pd(1) atoms to form CdPd12 cuboctahedra that share corners with four equivalent Cd(1)Pd12 cuboctahedra, corners with eight equivalent Pd(2)Cd4Pd8 cuboctahedra, edges with eight equivalent Cd(1)Pd12 cuboctahedra, edges with sixteen equivalent Pd(1)Cd4Pd8 cuboctahedra, faces with four equivalent Cd(1)Pd12 cuboctahedra, faces with six equivalent Pd(2)Cd4Pd8 cuboctahedra, and faces with eight equivalent Pd(1)Cd4Pd8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.885
_cell_length_b   4.885
_cell_length_c   4.885
_cell_angle_alpha   131.557
_cell_angle_beta   131.557
_cell_angle_gamma   70.929
_symmetry_Int_Tables_number   1
_cell_volume   63.919
_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
  Cd  Cd0  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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