The structure described by Pt2PbBi3 is Hausmannite-derived structured and crystallizes in the monoclinic Pm space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to one Pb(1), one Bi(1), two equivalent Bi(2), and two equivalent Bi(3) atoms to form PtBi5Pb octahedra that share corners with eight equivalent Pt(2)Bi4Pb2 octahedra,  a cornercorner with one Pb(1)BiPt3 tetrahedra,  a cornercorner with one Bi(1)Pt3Pb tetrahedra, corners with two equivalent Bi(2)BiPt3 tetrahedra, corners with two equivalent Bi(3)BiPt3 tetrahedra, and edges with two equivalent Pt(1)Bi5Pb octahedra. The corner-sharing octahedral tilt angles range from 55-56°. In the second Pt site, Pt(2) is bonded to two equivalent Pb(1), one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form PtBi4Pb2 octahedra that share corners with eight equivalent Pt(1)Bi5Pb octahedra,  a cornercorner with one Bi(2)BiPt3 tetrahedra,  a cornercorner with one Bi(3)BiPt3 tetrahedra, corners with two equivalent Pb(1)BiPt3 tetrahedra, corners with two equivalent Bi(1)Pt3Pb tetrahedra, and edges with two equivalent Pt(2)Bi4Pb2 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. Pb(1) is bonded to one Pt(1), two equivalent Pt(2), and one Bi(1) atom to form PbBiPt3 tetrahedra that share  a cornercorner with one Pt(1)Bi5Pb octahedra, corners with two equivalent Pt(2)Bi4Pb2 octahedra, corners with two equivalent Pb(1)BiPt3 tetrahedra, corners with three equivalent Bi(1)Pt3Pb tetrahedra, corners with four equivalent Bi(2)BiPt3 tetrahedra, corners with four equivalent Bi(3)BiPt3 tetrahedra, and  an edgeedge with one Bi(1)Pt3Pb tetrahedra. The corner-sharing octahedral tilt angles range from 76-78°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one Pt(1), two equivalent Pt(2), and one Pb(1) atom to form BiPt3Pb tetrahedra that share  a cornercorner with one Pt(1)Bi5Pb octahedra, corners with two equivalent Pt(2)Bi4Pb2 octahedra, corners with two equivalent Bi(1)Pt3Pb tetrahedra, corners with three equivalent Pb(1)BiPt3 tetrahedra, corners with four equivalent Bi(2)BiPt3 tetrahedra, corners with four equivalent Bi(3)BiPt3 tetrahedra, and  an edgeedge with one Pb(1)BiPt3 tetrahedra. The corner-sharing octahedral tilt angles range from 76-79°. In the second Bi site, Bi(2) is bonded to one Pt(2), two equivalent Pt(1), and one Bi(3) atom to form distorted BiBiPt3 tetrahedra that share  a cornercorner with one Pt(2)Bi4Pb2 octahedra, corners with two equivalent Pt(1)Bi5Pb octahedra, corners with two equivalent Bi(2)BiPt3 tetrahedra, corners with three equivalent Bi(3)BiPt3 tetrahedra, corners with four equivalent Pb(1)BiPt3 tetrahedra, corners with four equivalent Bi(1)Pt3Pb tetrahedra, and  an edgeedge with one Bi(3)BiPt3 tetrahedra. The corner-sharing octahedral tilt angles range from 75-79°. In the third Bi site, Bi(3) is bonded to one Pt(2), two equivalent Pt(1), and one Bi(2) atom to form distorted BiBiPt3 tetrahedra that share  a cornercorner with one Pt(2)Bi4Pb2 octahedra, corners with two equivalent Pt(1)Bi5Pb octahedra, corners with two equivalent Bi(3)BiPt3 tetrahedra, corners with three equivalent Bi(2)BiPt3 tetrahedra, corners with four equivalent Pb(1)BiPt3 tetrahedra, corners with four equivalent Bi(1)Pt3Pb tetrahedra, and  an edgeedge with one Bi(2)BiPt3 tetrahedra. The corner-sharing octahedral tilt angles range from 76-78°. is represented by the CIF card [CIF]
data_Bi3Pt2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.147
_cell_length_b   5.728
_cell_length_c   6.917
_cell_angle_alpha   90.518
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   164.293
_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  0.500  0.286  0.862  1.0
  Bi  Bi1  1  0.000  0.214  0.362  1.0
  Bi  Bi2  1  0.000  0.785  0.637  1.0
  Pt  Pt3  1  0.500  0.498  0.501  1.0
  Pt  Pt4  1  0.000  0.003  0.998  1.0
  Pb  Pb5  1  0.500  0.714  0.140  1.0
[/CIF]
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The structure described by Pt2PbBi3 is Hausmannite-derived structured and crystallizes in the monoclinic Pm space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to one Pb(1), one Bi(1), two equivalent Bi(2), and two equivalent Bi(3) atoms to form PtBi5Pb octahedra that share corners with eight equivalent Pt(2)Bi4Pb2 octahedra,  a cornercorner with one Pb(1)BiPt3 tetrahedra,  a cornercorner with one Bi(1)Pt3Pb tetrahedra, corners with two equivalent Bi(2)BiPt3 tetrahedra, corners with two equivalent Bi(3)BiPt3 tetrahedra, and edges with two equivalent Pt(1)Bi5Pb octahedra. The corner-sharing octahedral tilt angles range from 55-56°. In the second Pt site, Pt(2) is bonded to two equivalent Pb(1), one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form PtBi4Pb2 octahedra that share corners with eight equivalent Pt(1)Bi5Pb octahedra,  a cornercorner with one Bi(2)BiPt3 tetrahedra,  a cornercorner with one Bi(3)BiPt3 tetrahedra, corners with two equivalent Pb(1)BiPt3 tetrahedra, corners with two equivalent Bi(1)Pt3Pb tetrahedra, and edges with two equivalent Pt(2)Bi4Pb2 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. Pb(1) is bonded to one Pt(1), two equivalent Pt(2), and one Bi(1) atom to form PbBiPt3 tetrahedra that share  a cornercorner with one Pt(1)Bi5Pb octahedra, corners with two equivalent Pt(2)Bi4Pb2 octahedra, corners with two equivalent Pb(1)BiPt3 tetrahedra, corners with three equivalent Bi(1)Pt3Pb tetrahedra, corners with four equivalent Bi(2)BiPt3 tetrahedra, corners with four equivalent Bi(3)BiPt3 tetrahedra, and  an edgeedge with one Bi(1)Pt3Pb tetrahedra. The corner-sharing octahedral tilt angles range from 76-78°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one Pt(1), two equivalent Pt(2), and one Pb(1) atom to form BiPt3Pb tetrahedra that share  a cornercorner with one Pt(1)Bi5Pb octahedra, corners with two equivalent Pt(2)Bi4Pb2 octahedra, corners with two equivalent Bi(1)Pt3Pb tetrahedra, corners with three equivalent Pb(1)BiPt3 tetrahedra, corners with four equivalent Bi(2)BiPt3 tetrahedra, corners with four equivalent Bi(3)BiPt3 tetrahedra, and  an edgeedge with one Pb(1)BiPt3 tetrahedra. The corner-sharing octahedral tilt angles range from 76-79°. In the second Bi site, Bi(2) is bonded to one Pt(2), two equivalent Pt(1), and one Bi(3) atom to form distorted BiBiPt3 tetrahedra that share  a cornercorner with one Pt(2)Bi4Pb2 octahedra, corners with two equivalent Pt(1)Bi5Pb octahedra, corners with two equivalent Bi(2)BiPt3 tetrahedra, corners with three equivalent Bi(3)BiPt3 tetrahedra, corners with four equivalent Pb(1)BiPt3 tetrahedra, corners with four equivalent Bi(1)Pt3Pb tetrahedra, and  an edgeedge with one Bi(3)BiPt3 tetrahedra. The corner-sharing octahedral tilt angles range from 75-79°. In the third Bi site, Bi(3) is bonded to one Pt(2), two equivalent Pt(1), and one Bi(2) atom to form distorted BiBiPt3 tetrahedra that share  a cornercorner with one Pt(2)Bi4Pb2 octahedra, corners with two equivalent Pt(1)Bi5Pb octahedra, corners with two equivalent Bi(3)BiPt3 tetrahedra, corners with three equivalent Bi(2)BiPt3 tetrahedra, corners with four equivalent Pb(1)BiPt3 tetrahedra, corners with four equivalent Bi(1)Pt3Pb tetrahedra, and  an edgeedge with one Bi(2)BiPt3 tetrahedra. The corner-sharing octahedral tilt angles range from 76-78°. is represented by the CIF card [CIF]
data_Bi3Pt2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.147
_cell_length_b   5.728
_cell_length_c   6.917
_cell_angle_alpha   90.518
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   164.293
_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  0.500  0.286  0.862  1.0
  Bi  Bi1  1  0.000  0.214  0.362  1.0
  Bi  Bi2  1  0.000  0.785  0.637  1.0
  Pt  Pt3  1  0.500  0.498  0.501  1.0
  Pt  Pt4  1  0.000  0.003  0.998  1.0
  Pb  Pb5  1  0.500  0.714  0.140  1.0
[/CIF]
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