The structure described by Pt5PbSi crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a distorted water-like geometry to two equivalent Pt(2), two equivalent Pb(1), and two equivalent Si(1) atoms. In the second Pt site, Pt(2) is bonded to eight equivalent Pt(1) and four equivalent Pb(1) atoms to form PtPt8Pb4 cuboctahedra that share corners with four equivalent Pt(2)Pt8Pb4 cuboctahedra, faces with four equivalent Pt(2)Pt8Pb4 cuboctahedra, and faces with four equivalent Pb(1)Pt12 cuboctahedra. Pb(1) is bonded to four equivalent Pt(2) and eight equivalent Pt(1) atoms to form PbPt12 cuboctahedra that share corners with four equivalent Pb(1)Pt12 cuboctahedra, faces with four equivalent Pt(2)Pt8Pb4 cuboctahedra, and faces with four equivalent Pb(1)Pt12 cuboctahedra. Si(1) is bonded in a body-centered cubic geometry to eight equivalent Pt(1) atoms. is represented by the CIF card [CIF]
data_SiPt5Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.001
_cell_length_b   4.001
_cell_length_c   7.213
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   115.467
_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
  Si  Si0  1  0.000  0.000  0.500  1.0
  Pt  Pt1  1  0.000  0.500  0.303  1.0
  Pt  Pt2  1  0.000  0.500  0.697  1.0
  Pt  Pt3  1  0.500  0.000  0.303  1.0
  Pt  Pt4  1  0.500  0.000  0.697  1.0
  Pt  Pt5  1  0.000  0.000  0.000  1.0
  Pb  Pb6  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by Pt5PbSi crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a distorted water-like geometry to two equivalent Pt(2), two equivalent Pb(1), and two equivalent Si(1) atoms. In the second Pt site, Pt(2) is bonded to eight equivalent Pt(1) and four equivalent Pb(1) atoms to form PtPt8Pb4 cuboctahedra that share corners with four equivalent Pt(2)Pt8Pb4 cuboctahedra, faces with four equivalent Pt(2)Pt8Pb4 cuboctahedra, and faces with four equivalent Pb(1)Pt12 cuboctahedra. Pb(1) is bonded to four equivalent Pt(2) and eight equivalent Pt(1) atoms to form PbPt12 cuboctahedra that share corners with four equivalent Pb(1)Pt12 cuboctahedra, faces with four equivalent Pt(2)Pt8Pb4 cuboctahedra, and faces with four equivalent Pb(1)Pt12 cuboctahedra. Si(1) is bonded in a body-centered cubic geometry to eight equivalent Pt(1) atoms. is represented by the CIF card [CIF]
data_SiPt5Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.001
_cell_length_b   4.001
_cell_length_c   7.213
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   115.467
_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
  Si  Si0  1  0.000  0.000  0.500  1.0
  Pt  Pt1  1  0.000  0.500  0.303  1.0
  Pt  Pt2  1  0.000  0.500  0.697  1.0
  Pt  Pt3  1  0.500  0.000  0.303  1.0
  Pt  Pt4  1  0.500  0.000  0.697  1.0
  Pt  Pt5  1  0.000  0.000  0.000  1.0
  Pb  Pb6  1  0.500  0.500  0.000  1.0
[/CIF]
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