The material described by CdPb3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Cd(1) is bonded to four equivalent Pb(2) and eight equivalent Pb(1) atoms to form CdPb12 cuboctahedra that share corners with four equivalent Cd(1)Pb12 cuboctahedra, edges with eight equivalent Cd(1)Pb12 cuboctahedra, edges with sixteen equivalent Pb(1)Cd4Pb8 cuboctahedra, faces with four equivalent Cd(1)Pb12 cuboctahedra, and faces with eight equivalent Pb(1)Cd4Pb8 cuboctahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to four equivalent Cd(1), four equivalent Pb(1), and four equivalent Pb(2) atoms to form distorted PbCd4Pb8 cuboctahedra that share corners with twelve equivalent Pb(1)Cd4Pb8 cuboctahedra, edges with eight equivalent Cd(1)Pb12 cuboctahedra, edges with eight equivalent Pb(1)Cd4Pb8 cuboctahedra, faces with four equivalent Cd(1)Pb12 cuboctahedra, and faces with ten equivalent Pb(1)Cd4Pb8 cuboctahedra. In the second Pb site, Pb(2) is bonded in a distorted square co-planar geometry to four equivalent Cd(1) and eight equivalent Pb(1) atoms. is represented by the CIF file [CIF]
data_CdPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.117
_cell_length_b   6.117
_cell_length_c   6.117
_cell_angle_alpha   133.821
_cell_angle_beta   133.821
_cell_angle_gamma   67.367
_symmetry_Int_Tables_number   1
_cell_volume   117.166
_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
  Pb  Pb1  1  0.750  0.250  0.500  1.0
  Pb  Pb2  1  0.250  0.750  0.500  1.0
  Pb  Pb3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material described by CdPb3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Cd(1) is bonded to four equivalent Pb(2) and eight equivalent Pb(1) atoms to form CdPb12 cuboctahedra that share corners with four equivalent Cd(1)Pb12 cuboctahedra, edges with eight equivalent Cd(1)Pb12 cuboctahedra, edges with sixteen equivalent Pb(1)Cd4Pb8 cuboctahedra, faces with four equivalent Cd(1)Pb12 cuboctahedra, and faces with eight equivalent Pb(1)Cd4Pb8 cuboctahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to four equivalent Cd(1), four equivalent Pb(1), and four equivalent Pb(2) atoms to form distorted PbCd4Pb8 cuboctahedra that share corners with twelve equivalent Pb(1)Cd4Pb8 cuboctahedra, edges with eight equivalent Cd(1)Pb12 cuboctahedra, edges with eight equivalent Pb(1)Cd4Pb8 cuboctahedra, faces with four equivalent Cd(1)Pb12 cuboctahedra, and faces with ten equivalent Pb(1)Cd4Pb8 cuboctahedra. In the second Pb site, Pb(2) is bonded in a distorted square co-planar geometry to four equivalent Cd(1) and eight equivalent Pb(1) atoms. is represented by the CIF file [CIF]
data_CdPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.117
_cell_length_b   6.117
_cell_length_c   6.117
_cell_angle_alpha   133.821
_cell_angle_beta   133.821
_cell_angle_gamma   67.367
_symmetry_Int_Tables_number   1
_cell_volume   117.166
_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
  Pb  Pb1  1  0.750  0.250  0.500  1.0
  Pb  Pb2  1  0.250  0.750  0.500  1.0
  Pb  Pb3  1  0.500  0.500  0.000  1.0
[/CIF]
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