The crystal structure described by Hf5Pb crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to four equivalent Hf(1), four equivalent Hf(2), and four equivalent Hf(3) atoms to form HfHf12 cuboctahedra that share corners with four equivalent Pb(1)Hf8Pb4 cuboctahedra, corners with eight equivalent Hf(1)Hf12 cuboctahedra, edges with four equivalent Hf(1)Hf12 cuboctahedra, edges with four equivalent Pb(1)Hf8Pb4 cuboctahedra, edges with eight equivalent Hf(3)Hf12 cuboctahedra, edges with eight equivalent Hf(2)Hf8Pb4 cuboctahedra,  a faceface with one Pb(1)Hf8Pb4 cuboctahedra, faces with four equivalent Hf(3)Hf12 cuboctahedra, faces with four equivalent Hf(2)Hf8Pb4 cuboctahedra, and faces with nine equivalent Hf(1)Hf12 cuboctahedra. In the second Hf site, Hf(2) is bonded to four equivalent Hf(1), four equivalent Hf(2), and four equivalent Pb(1) atoms to form distorted HfHf8Pb4 cuboctahedra that share corners with four equivalent Hf(3)Hf12 cuboctahedra, corners with eight equivalent Hf(2)Hf8Pb4 cuboctahedra, edges with four equivalent Hf(3)Hf12 cuboctahedra, edges with four equivalent Hf(2)Hf8Pb4 cuboctahedra, edges with eight equivalent Hf(1)Hf12 cuboctahedra, edges with eight equivalent Pb(1)Hf8Pb4 cuboctahedra,  a faceface with one Hf(3)Hf12 cuboctahedra, faces with four equivalent Hf(1)Hf12 cuboctahedra, faces with four equivalent Pb(1)Hf8Pb4 cuboctahedra, and faces with nine equivalent Hf(2)Hf8Pb4 cuboctahedra. In the third Hf site, Hf(3) is bonded to four equivalent Hf(3) and eight equivalent Hf(1) atoms to form HfHf12 cuboctahedra that share corners with four equivalent Hf(3)Hf12 cuboctahedra, corners with eight equivalent Hf(2)Hf8Pb4 cuboctahedra, edges with eight equivalent Hf(2)Hf8Pb4 cuboctahedra, edges with sixteen equivalent Hf(1)Hf12 cuboctahedra, faces with two equivalent Hf(2)Hf8Pb4 cuboctahedra, faces with eight equivalent Hf(1)Hf12 cuboctahedra, and faces with eight equivalent Hf(3)Hf12 cuboctahedra. Pb(1) is bonded to eight equivalent Hf(2) and four equivalent Pb(1) atoms to form distorted PbHf8Pb4 cuboctahedra that share corners with four equivalent Pb(1)Hf8Pb4 cuboctahedra, corners with eight equivalent Hf(1)Hf12 cuboctahedra, edges with eight equivalent Hf(1)Hf12 cuboctahedra, edges with sixteen equivalent Hf(2)Hf8Pb4 cuboctahedra, faces with two equivalent Hf(1)Hf12 cuboctahedra, faces with eight equivalent Hf(2)Hf8Pb4 cuboctahedra, and faces with eight equivalent Pb(1)Hf8Pb4 cuboctahedra. is represented by the CIF card [CIF]
data_Hf5Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.187
_cell_length_b   3.187
_cell_length_c   13.498
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   137.072
_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
  Hf  Hf0  1  0.500  0.500  0.334  1.0
  Hf  Hf1  1  0.500  0.500  0.666  1.0
  Hf  Hf2  1  0.000  0.000  0.176  1.0
  Hf  Hf3  1  0.000  0.000  0.824  1.0
  Hf  Hf4  1  0.000  0.000  0.500  1.0
  Pb  Pb5  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by Hf5Pb crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to four equivalent Hf(1), four equivalent Hf(2), and four equivalent Hf(3) atoms to form HfHf12 cuboctahedra that share corners with four equivalent Pb(1)Hf8Pb4 cuboctahedra, corners with eight equivalent Hf(1)Hf12 cuboctahedra, edges with four equivalent Hf(1)Hf12 cuboctahedra, edges with four equivalent Pb(1)Hf8Pb4 cuboctahedra, edges with eight equivalent Hf(3)Hf12 cuboctahedra, edges with eight equivalent Hf(2)Hf8Pb4 cuboctahedra,  a faceface with one Pb(1)Hf8Pb4 cuboctahedra, faces with four equivalent Hf(3)Hf12 cuboctahedra, faces with four equivalent Hf(2)Hf8Pb4 cuboctahedra, and faces with nine equivalent Hf(1)Hf12 cuboctahedra. In the second Hf site, Hf(2) is bonded to four equivalent Hf(1), four equivalent Hf(2), and four equivalent Pb(1) atoms to form distorted HfHf8Pb4 cuboctahedra that share corners with four equivalent Hf(3)Hf12 cuboctahedra, corners with eight equivalent Hf(2)Hf8Pb4 cuboctahedra, edges with four equivalent Hf(3)Hf12 cuboctahedra, edges with four equivalent Hf(2)Hf8Pb4 cuboctahedra, edges with eight equivalent Hf(1)Hf12 cuboctahedra, edges with eight equivalent Pb(1)Hf8Pb4 cuboctahedra,  a faceface with one Hf(3)Hf12 cuboctahedra, faces with four equivalent Hf(1)Hf12 cuboctahedra, faces with four equivalent Pb(1)Hf8Pb4 cuboctahedra, and faces with nine equivalent Hf(2)Hf8Pb4 cuboctahedra. In the third Hf site, Hf(3) is bonded to four equivalent Hf(3) and eight equivalent Hf(1) atoms to form HfHf12 cuboctahedra that share corners with four equivalent Hf(3)Hf12 cuboctahedra, corners with eight equivalent Hf(2)Hf8Pb4 cuboctahedra, edges with eight equivalent Hf(2)Hf8Pb4 cuboctahedra, edges with sixteen equivalent Hf(1)Hf12 cuboctahedra, faces with two equivalent Hf(2)Hf8Pb4 cuboctahedra, faces with eight equivalent Hf(1)Hf12 cuboctahedra, and faces with eight equivalent Hf(3)Hf12 cuboctahedra. Pb(1) is bonded to eight equivalent Hf(2) and four equivalent Pb(1) atoms to form distorted PbHf8Pb4 cuboctahedra that share corners with four equivalent Pb(1)Hf8Pb4 cuboctahedra, corners with eight equivalent Hf(1)Hf12 cuboctahedra, edges with eight equivalent Hf(1)Hf12 cuboctahedra, edges with sixteen equivalent Hf(2)Hf8Pb4 cuboctahedra, faces with two equivalent Hf(1)Hf12 cuboctahedra, faces with eight equivalent Hf(2)Hf8Pb4 cuboctahedra, and faces with eight equivalent Pb(1)Hf8Pb4 cuboctahedra. is represented by the CIF card [CIF]
data_Hf5Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.187
_cell_length_b   3.187
_cell_length_c   13.498
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   137.072
_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
  Hf  Hf0  1  0.500  0.500  0.334  1.0
  Hf  Hf1  1  0.500  0.500  0.666  1.0
  Hf  Hf2  1  0.000  0.000  0.176  1.0
  Hf  Hf3  1  0.000  0.000  0.824  1.0
  Hf  Hf4  1  0.000  0.000  0.500  1.0
  Pb  Pb5  1  0.500  0.500  0.000  1.0
[/CIF]
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