The compound described by Pd6PbBi is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to eight equivalent Pd(3) and four equivalent Bi(1) atoms to form PdBi4Pd8 cuboctahedra that share corners with four equivalent Pd(1)Bi4Pd8 cuboctahedra, corners with eight equivalent Pd(2)Pd8Pb4 cuboctahedra, edges with eight equivalent Pb(1)Pd12 cuboctahedra, edges with sixteen equivalent Pd(3)Bi2Pd8Pb2 cuboctahedra, faces with two equivalent Pd(2)Pd8Pb4 cuboctahedra, faces with four equivalent Pd(1)Bi4Pd8 cuboctahedra, faces with four equivalent Bi(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(3)Bi2Pd8Pb2 cuboctahedra. In the second Pd site, Pd(2) is bonded to eight equivalent Pd(3) and four equivalent Pb(1) atoms to form PdPd8Pb4 cuboctahedra that share corners with four equivalent Pd(2)Pd8Pb4 cuboctahedra, corners with eight equivalent Pd(1)Bi4Pd8 cuboctahedra, edges with eight equivalent Bi(1)Pd12 cuboctahedra, edges with sixteen equivalent Pd(3)Bi2Pd8Pb2 cuboctahedra, faces with two equivalent Pd(1)Bi4Pd8 cuboctahedra, faces with four equivalent Pd(2)Pd8Pb4 cuboctahedra, faces with four equivalent Pb(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(3)Bi2Pd8Pb2 cuboctahedra. In the third Pd site, Pd(3) is bonded to two equivalent Pd(1), two equivalent Pd(2), four equivalent Pd(3), two equivalent Pb(1), and two equivalent Bi(1) atoms to form PdBi2Pd8Pb2 cuboctahedra that share corners with twelve equivalent Pd(3)Bi2Pd8Pb2 cuboctahedra, edges with four equivalent Pd(1)Bi4Pd8 cuboctahedra, edges with four equivalent Pd(2)Pd8Pb4 cuboctahedra, edges with four equivalent Pb(1)Pd12 cuboctahedra, edges with four equivalent Bi(1)Pd12 cuboctahedra, edges with eight equivalent Pd(3)Bi2Pd8Pb2 cuboctahedra, faces with two equivalent Pd(1)Bi4Pd8 cuboctahedra, faces with two equivalent Pd(2)Pd8Pb4 cuboctahedra, faces with two equivalent Pb(1)Pd12 cuboctahedra, faces with two equivalent Bi(1)Pd12 cuboctahedra, and faces with ten equivalent Pd(3)Bi2Pd8Pb2 cuboctahedra. Pb(1) is bonded to four equivalent Pd(2) and eight equivalent Pd(3) atoms to form PbPd12 cuboctahedra that share corners with four equivalent Pb(1)Pd12 cuboctahedra, corners with eight equivalent Bi(1)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Bi4Pd8 cuboctahedra, edges with sixteen equivalent Pd(3)Bi2Pd8Pb2 cuboctahedra, faces with two equivalent Bi(1)Pd12 cuboctahedra, faces with four equivalent Pd(2)Pd8Pb4 cuboctahedra, faces with four equivalent Pb(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(3)Bi2Pd8Pb2 cuboctahedra. Bi(1) is bonded to four equivalent Pd(1) and eight equivalent Pd(3) atoms to form BiPd12 cuboctahedra that share corners with four equivalent Bi(1)Pd12 cuboctahedra, corners with eight equivalent Pb(1)Pd12 cuboctahedra, edges with eight equivalent Pd(2)Pd8Pb4 cuboctahedra, edges with sixteen equivalent Pd(3)Bi2Pd8Pb2 cuboctahedra, faces with two equivalent Pb(1)Pd12 cuboctahedra, faces with four equivalent Pd(1)Bi4Pd8 cuboctahedra, faces with four equivalent Bi(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(3)Bi2Pd8Pb2 cuboctahedra. is represented by the CIF card [CIF]
data_BiPd6Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.093
_cell_length_b   4.093
_cell_length_c   8.176
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   137.001
_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
  Bi  Bi0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.500  0.500  0.000  1.0
  Pd  Pd2  1  0.500  0.500  0.500  1.0
  Pd  Pd3  1  0.500  0.000  0.251  1.0
  Pd  Pd4  1  0.500  0.000  0.749  1.0
  Pd  Pd5  1  0.000  0.500  0.251  1.0
  Pd  Pd6  1  0.000  0.500  0.749  1.0
  Pb  Pb7  1  0.000  0.000  0.500  1.0
[/CIF]
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The compound described by Pd6PbBi is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to eight equivalent Pd(3) and four equivalent Bi(1) atoms to form PdBi4Pd8 cuboctahedra that share corners with four equivalent Pd(1)Bi4Pd8 cuboctahedra, corners with eight equivalent Pd(2)Pd8Pb4 cuboctahedra, edges with eight equivalent Pb(1)Pd12 cuboctahedra, edges with sixteen equivalent Pd(3)Bi2Pd8Pb2 cuboctahedra, faces with two equivalent Pd(2)Pd8Pb4 cuboctahedra, faces with four equivalent Pd(1)Bi4Pd8 cuboctahedra, faces with four equivalent Bi(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(3)Bi2Pd8Pb2 cuboctahedra. In the second Pd site, Pd(2) is bonded to eight equivalent Pd(3) and four equivalent Pb(1) atoms to form PdPd8Pb4 cuboctahedra that share corners with four equivalent Pd(2)Pd8Pb4 cuboctahedra, corners with eight equivalent Pd(1)Bi4Pd8 cuboctahedra, edges with eight equivalent Bi(1)Pd12 cuboctahedra, edges with sixteen equivalent Pd(3)Bi2Pd8Pb2 cuboctahedra, faces with two equivalent Pd(1)Bi4Pd8 cuboctahedra, faces with four equivalent Pd(2)Pd8Pb4 cuboctahedra, faces with four equivalent Pb(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(3)Bi2Pd8Pb2 cuboctahedra. In the third Pd site, Pd(3) is bonded to two equivalent Pd(1), two equivalent Pd(2), four equivalent Pd(3), two equivalent Pb(1), and two equivalent Bi(1) atoms to form PdBi2Pd8Pb2 cuboctahedra that share corners with twelve equivalent Pd(3)Bi2Pd8Pb2 cuboctahedra, edges with four equivalent Pd(1)Bi4Pd8 cuboctahedra, edges with four equivalent Pd(2)Pd8Pb4 cuboctahedra, edges with four equivalent Pb(1)Pd12 cuboctahedra, edges with four equivalent Bi(1)Pd12 cuboctahedra, edges with eight equivalent Pd(3)Bi2Pd8Pb2 cuboctahedra, faces with two equivalent Pd(1)Bi4Pd8 cuboctahedra, faces with two equivalent Pd(2)Pd8Pb4 cuboctahedra, faces with two equivalent Pb(1)Pd12 cuboctahedra, faces with two equivalent Bi(1)Pd12 cuboctahedra, and faces with ten equivalent Pd(3)Bi2Pd8Pb2 cuboctahedra. Pb(1) is bonded to four equivalent Pd(2) and eight equivalent Pd(3) atoms to form PbPd12 cuboctahedra that share corners with four equivalent Pb(1)Pd12 cuboctahedra, corners with eight equivalent Bi(1)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Bi4Pd8 cuboctahedra, edges with sixteen equivalent Pd(3)Bi2Pd8Pb2 cuboctahedra, faces with two equivalent Bi(1)Pd12 cuboctahedra, faces with four equivalent Pd(2)Pd8Pb4 cuboctahedra, faces with four equivalent Pb(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(3)Bi2Pd8Pb2 cuboctahedra. Bi(1) is bonded to four equivalent Pd(1) and eight equivalent Pd(3) atoms to form BiPd12 cuboctahedra that share corners with four equivalent Bi(1)Pd12 cuboctahedra, corners with eight equivalent Pb(1)Pd12 cuboctahedra, edges with eight equivalent Pd(2)Pd8Pb4 cuboctahedra, edges with sixteen equivalent Pd(3)Bi2Pd8Pb2 cuboctahedra, faces with two equivalent Pb(1)Pd12 cuboctahedra, faces with four equivalent Pd(1)Bi4Pd8 cuboctahedra, faces with four equivalent Bi(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(3)Bi2Pd8Pb2 cuboctahedra. is represented by the CIF card [CIF]
data_BiPd6Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.093
_cell_length_b   4.093
_cell_length_c   8.176
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   137.001
_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
  Bi  Bi0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.500  0.500  0.000  1.0
  Pd  Pd2  1  0.500  0.500  0.500  1.0
  Pd  Pd3  1  0.500  0.000  0.251  1.0
  Pd  Pd4  1  0.500  0.000  0.749  1.0
  Pd  Pd5  1  0.000  0.500  0.251  1.0
  Pd  Pd6  1  0.000  0.500  0.749  1.0
  Pb  Pb7  1  0.000  0.000  0.500  1.0
[/CIF]
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