The material structure described by PtSnSb is Marcasite-derived structured and crystallizes in the monoclinic P2/m space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to four equivalent Sn(1) and two equivalent Sb(1) atoms to form PtSn4Sb2 octahedra that share corners with eight equivalent Pt(2)Sn2Sb4 octahedra, corners with two equivalent Sb(1)SbPt3 tetrahedra, corners with four equivalent Sn(1)SnPt3 tetrahedra, and edges with two equivalent Pt(1)Sn4Sb2 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. In the second Pt site, Pt(2) is bonded to two equivalent Sn(1) and four equivalent Sb(1) atoms to form PtSn2Sb4 octahedra that share corners with eight equivalent Pt(1)Sn4Sb2 octahedra, corners with two equivalent Sn(1)SnPt3 tetrahedra, corners with four equivalent Sb(1)SbPt3 tetrahedra, and edges with two equivalent Pt(2)Sn2Sb4 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. Sn(1) is bonded to one Pt(2), two equivalent Pt(1), and one Sn(1) atom to form distorted SnSnPt3 tetrahedra that share  a cornercorner with one Pt(2)Sn2Sb4 octahedra, corners with two equivalent Pt(1)Sn4Sb2 octahedra, corners with five equivalent Sn(1)SnPt3 tetrahedra, corners with eight equivalent Sb(1)SbPt3 tetrahedra, and  an edgeedge with one Sn(1)SnPt3 tetrahedra. The corner-sharing octahedral tilt angles range from 76-77°. Sb(1) is bonded to one Pt(1), two equivalent Pt(2), and one Sb(1) atom to form distorted SbSbPt3 tetrahedra that share  a cornercorner with one Pt(1)Sn4Sb2 octahedra, corners with two equivalent Pt(2)Sn2Sb4 octahedra, corners with five equivalent Sb(1)SbPt3 tetrahedra, corners with eight equivalent Sn(1)SnPt3 tetrahedra, and  an edgeedge with one Sb(1)SbPt3 tetrahedra. The corner-sharing octahedral tilt angles are 75°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SnSbPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.947
_cell_length_b   5.398
_cell_length_c   6.673
_cell_angle_alpha   88.247
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   142.108
_cell_formula_units_Z   2
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
  Sn  Sn0  1  0.000  0.792  0.639  1.0
  Sn  Sn1  1  0.000  0.208  0.361  1.0
  Sb  Sb2  1  0.500  0.294  0.866  1.0
  Sb  Sb3  1  0.500  0.706  0.134  1.0
  Pt  Pt4  1  0.500  0.500  0.500  1.0
  Pt  Pt5  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by PtSnSb is Marcasite-derived structured and crystallizes in the monoclinic P2/m space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to four equivalent Sn(1) and two equivalent Sb(1) atoms to form PtSn4Sb2 octahedra that share corners with eight equivalent Pt(2)Sn2Sb4 octahedra, corners with two equivalent Sb(1)SbPt3 tetrahedra, corners with four equivalent Sn(1)SnPt3 tetrahedra, and edges with two equivalent Pt(1)Sn4Sb2 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. In the second Pt site, Pt(2) is bonded to two equivalent Sn(1) and four equivalent Sb(1) atoms to form PtSn2Sb4 octahedra that share corners with eight equivalent Pt(1)Sn4Sb2 octahedra, corners with two equivalent Sn(1)SnPt3 tetrahedra, corners with four equivalent Sb(1)SbPt3 tetrahedra, and edges with two equivalent Pt(2)Sn2Sb4 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. Sn(1) is bonded to one Pt(2), two equivalent Pt(1), and one Sn(1) atom to form distorted SnSnPt3 tetrahedra that share  a cornercorner with one Pt(2)Sn2Sb4 octahedra, corners with two equivalent Pt(1)Sn4Sb2 octahedra, corners with five equivalent Sn(1)SnPt3 tetrahedra, corners with eight equivalent Sb(1)SbPt3 tetrahedra, and  an edgeedge with one Sn(1)SnPt3 tetrahedra. The corner-sharing octahedral tilt angles range from 76-77°. Sb(1) is bonded to one Pt(1), two equivalent Pt(2), and one Sb(1) atom to form distorted SbSbPt3 tetrahedra that share  a cornercorner with one Pt(1)Sn4Sb2 octahedra, corners with two equivalent Pt(2)Sn2Sb4 octahedra, corners with five equivalent Sb(1)SbPt3 tetrahedra, corners with eight equivalent Sn(1)SnPt3 tetrahedra, and  an edgeedge with one Sb(1)SbPt3 tetrahedra. The corner-sharing octahedral tilt angles are 75°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SnSbPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.947
_cell_length_b   5.398
_cell_length_c   6.673
_cell_angle_alpha   88.247
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   142.108
_cell_formula_units_Z   2
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
  Sn  Sn0  1  0.000  0.792  0.639  1.0
  Sn  Sn1  1  0.000  0.208  0.361  1.0
  Sb  Sb2  1  0.500  0.294  0.866  1.0
  Sb  Sb3  1  0.500  0.706  0.134  1.0
  Pt  Pt4  1  0.500  0.500  0.500  1.0
  Pt  Pt5  1  0.000  0.000  0.000  1.0
[/CIF]
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