The material structure described by CuPb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Cu(1) is bonded to four equivalent Pb(2) and eight equivalent Pb(1) atoms to form CuPb12 cuboctahedra that share corners with four equivalent Cu(1)Pb12 cuboctahedra, corners with eight equivalent Pb(2)Cu4Pb8 cuboctahedra, edges with eight equivalent Cu(1)Pb12 cuboctahedra, edges with sixteen equivalent Pb(1)Cu4Pb8 cuboctahedra, faces with four equivalent Cu(1)Pb12 cuboctahedra, faces with six equivalent Pb(2)Cu4Pb8 cuboctahedra, and faces with eight equivalent Pb(1)Cu4Pb8 cuboctahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to four equivalent Cu(1), four equivalent Pb(1), and four equivalent Pb(2) atoms to form distorted PbCu4Pb8 cuboctahedra that share corners with twelve equivalent Pb(1)Cu4Pb8 cuboctahedra, edges with eight equivalent Cu(1)Pb12 cuboctahedra, edges with eight equivalent Pb(1)Cu4Pb8 cuboctahedra, edges with eight equivalent Pb(2)Cu4Pb8 cuboctahedra, faces with four equivalent Cu(1)Pb12 cuboctahedra, faces with four equivalent Pb(2)Cu4Pb8 cuboctahedra, and faces with ten equivalent Pb(1)Cu4Pb8 cuboctahedra. In the second Pb site, Pb(2) is bonded to four equivalent Cu(1) and eight equivalent Pb(1) atoms to form PbCu4Pb8 cuboctahedra that share corners with four equivalent Pb(2)Cu4Pb8 cuboctahedra, corners with eight equivalent Cu(1)Pb12 cuboctahedra, edges with eight equivalent Pb(2)Cu4Pb8 cuboctahedra, edges with sixteen equivalent Pb(1)Cu4Pb8 cuboctahedra, faces with four equivalent Pb(2)Cu4Pb8 cuboctahedra, faces with six equivalent Cu(1)Pb12 cuboctahedra, and faces with eight equivalent Pb(1)Cu4Pb8 cuboctahedra. is represented by the CIF file [CIF]
data_CuPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.725
_cell_length_b   5.725
_cell_length_c   5.725
_cell_angle_alpha   130.329
_cell_angle_beta   130.329
_cell_angle_gamma   72.881
_symmetry_Int_Tables_number   1
_cell_volume   106.513
_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
  Cu  Cu0  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 structure described by CuPb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Cu(1) is bonded to four equivalent Pb(2) and eight equivalent Pb(1) atoms to form CuPb12 cuboctahedra that share corners with four equivalent Cu(1)Pb12 cuboctahedra, corners with eight equivalent Pb(2)Cu4Pb8 cuboctahedra, edges with eight equivalent Cu(1)Pb12 cuboctahedra, edges with sixteen equivalent Pb(1)Cu4Pb8 cuboctahedra, faces with four equivalent Cu(1)Pb12 cuboctahedra, faces with six equivalent Pb(2)Cu4Pb8 cuboctahedra, and faces with eight equivalent Pb(1)Cu4Pb8 cuboctahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to four equivalent Cu(1), four equivalent Pb(1), and four equivalent Pb(2) atoms to form distorted PbCu4Pb8 cuboctahedra that share corners with twelve equivalent Pb(1)Cu4Pb8 cuboctahedra, edges with eight equivalent Cu(1)Pb12 cuboctahedra, edges with eight equivalent Pb(1)Cu4Pb8 cuboctahedra, edges with eight equivalent Pb(2)Cu4Pb8 cuboctahedra, faces with four equivalent Cu(1)Pb12 cuboctahedra, faces with four equivalent Pb(2)Cu4Pb8 cuboctahedra, and faces with ten equivalent Pb(1)Cu4Pb8 cuboctahedra. In the second Pb site, Pb(2) is bonded to four equivalent Cu(1) and eight equivalent Pb(1) atoms to form PbCu4Pb8 cuboctahedra that share corners with four equivalent Pb(2)Cu4Pb8 cuboctahedra, corners with eight equivalent Cu(1)Pb12 cuboctahedra, edges with eight equivalent Pb(2)Cu4Pb8 cuboctahedra, edges with sixteen equivalent Pb(1)Cu4Pb8 cuboctahedra, faces with four equivalent Pb(2)Cu4Pb8 cuboctahedra, faces with six equivalent Cu(1)Pb12 cuboctahedra, and faces with eight equivalent Pb(1)Cu4Pb8 cuboctahedra. is represented by the CIF file [CIF]
data_CuPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.725
_cell_length_b   5.725
_cell_length_c   5.725
_cell_angle_alpha   130.329
_cell_angle_beta   130.329
_cell_angle_gamma   72.881
_symmetry_Int_Tables_number   1
_cell_volume   106.513
_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
  Cu  Cu0  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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