The material described by Cd3Pb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to eight Cd(1,1) and four equivalent Pb(1) atoms to form distorted CdCd8Pb4 cuboctahedra that share corners with four equivalent Pb(1)Cd12 cuboctahedra; corners with fourteen Cd(1,1,1)Cd8Pb4 cuboctahedra; edges with six equivalent Pb(1)Cd12 cuboctahedra; edges with twelve Cd(1,1)Cd8Pb4 cuboctahedra; faces with four equivalent Pb(1)Cd12 cuboctahedra; and faces with sixteen Cd(1,1,1)Cd8Pb4 cuboctahedra. In the second Cd site, Cd(1) is bonded to eight Cd(1,1,1) and four equivalent Pb(1) atoms to form distorted CdCd8Pb4 cuboctahedra that share corners with four equivalent Pb(1)Cd12 cuboctahedra; corners with fourteen Cd(1,1,1)Cd8Pb4 cuboctahedra; edges with six equivalent Pb(1)Cd12 cuboctahedra; edges with twelve Cd(1,1,1)Cd8Pb4 cuboctahedra; faces with four equivalent Pb(1)Cd12 cuboctahedra; and faces with sixteen Cd(1,1,1)Cd8Pb4 cuboctahedra. In the third Cd site, Cd(1) is bonded to eight Cd(1,1) and four equivalent Pb(1) atoms to form distorted CdCd8Pb4 cuboctahedra that share corners with four equivalent Pb(1)Cd12 cuboctahedra; corners with fourteen Cd(1,1,1)Cd8Pb4 cuboctahedra; edges with six equivalent Pb(1)Cd12 cuboctahedra; edges with twelve Cd(1,1)Cd8Pb4 cuboctahedra; faces with four equivalent Pb(1)Cd12 cuboctahedra; and faces with sixteen Cd(1,1,1)Cd8Pb4 cuboctahedra. Pb(1) is bonded to twelve Cd(1,1,1) atoms to form PbCd12 cuboctahedra that share corners with six equivalent Pb(1)Cd12 cuboctahedra; corners with twelve Cd(1,1)Cd8Pb4 cuboctahedra; edges with eighteen Cd(1,1,1)Cd8Pb4 cuboctahedra; faces with eight equivalent Pb(1)Cd12 cuboctahedra; and faces with twelve Cd(1,1,1)Cd8Pb4 cuboctahedra. is represented by the CIF file [CIF]
data_Cd3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.407
_cell_length_b   6.407
_cell_length_c   5.576
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   198.183
_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
  Cd  Cd0  1  0.838  0.162  0.750  1.0
  Cd  Cd1  1  0.325  0.162  0.750  1.0
  Cd  Cd2  1  0.838  0.675  0.750  1.0
  Cd  Cd3  1  0.162  0.838  0.250  1.0
  Cd  Cd4  1  0.675  0.838  0.250  1.0
  Cd  Cd5  1  0.162  0.325  0.250  1.0
  Pb  Pb6  1  0.667  0.333  0.250  1.0
  Pb  Pb7  1  0.333  0.667  0.750  1.0
[/CIF]
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The material described by Cd3Pb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to eight Cd(1,1) and four equivalent Pb(1) atoms to form distorted CdCd8Pb4 cuboctahedra that share corners with four equivalent Pb(1)Cd12 cuboctahedra; corners with fourteen Cd(1,1,1)Cd8Pb4 cuboctahedra; edges with six equivalent Pb(1)Cd12 cuboctahedra; edges with twelve Cd(1,1)Cd8Pb4 cuboctahedra; faces with four equivalent Pb(1)Cd12 cuboctahedra; and faces with sixteen Cd(1,1,1)Cd8Pb4 cuboctahedra. In the second Cd site, Cd(1) is bonded to eight Cd(1,1,1) and four equivalent Pb(1) atoms to form distorted CdCd8Pb4 cuboctahedra that share corners with four equivalent Pb(1)Cd12 cuboctahedra; corners with fourteen Cd(1,1,1)Cd8Pb4 cuboctahedra; edges with six equivalent Pb(1)Cd12 cuboctahedra; edges with twelve Cd(1,1,1)Cd8Pb4 cuboctahedra; faces with four equivalent Pb(1)Cd12 cuboctahedra; and faces with sixteen Cd(1,1,1)Cd8Pb4 cuboctahedra. In the third Cd site, Cd(1) is bonded to eight Cd(1,1) and four equivalent Pb(1) atoms to form distorted CdCd8Pb4 cuboctahedra that share corners with four equivalent Pb(1)Cd12 cuboctahedra; corners with fourteen Cd(1,1,1)Cd8Pb4 cuboctahedra; edges with six equivalent Pb(1)Cd12 cuboctahedra; edges with twelve Cd(1,1)Cd8Pb4 cuboctahedra; faces with four equivalent Pb(1)Cd12 cuboctahedra; and faces with sixteen Cd(1,1,1)Cd8Pb4 cuboctahedra. Pb(1) is bonded to twelve Cd(1,1,1) atoms to form PbCd12 cuboctahedra that share corners with six equivalent Pb(1)Cd12 cuboctahedra; corners with twelve Cd(1,1)Cd8Pb4 cuboctahedra; edges with eighteen Cd(1,1,1)Cd8Pb4 cuboctahedra; faces with eight equivalent Pb(1)Cd12 cuboctahedra; and faces with twelve Cd(1,1,1)Cd8Pb4 cuboctahedra. is represented by the CIF file [CIF]
data_Cd3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.407
_cell_length_b   6.407
_cell_length_c   5.576
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   198.183
_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
  Cd  Cd0  1  0.838  0.162  0.750  1.0
  Cd  Cd1  1  0.325  0.162  0.750  1.0
  Cd  Cd2  1  0.838  0.675  0.750  1.0
  Cd  Cd3  1  0.162  0.838  0.250  1.0
  Cd  Cd4  1  0.675  0.838  0.250  1.0
  Cd  Cd5  1  0.162  0.325  0.250  1.0
  Pb  Pb6  1  0.667  0.333  0.250  1.0
  Pb  Pb7  1  0.333  0.667  0.750  1.0
[/CIF]
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