Materials Data on SbPtSe by Materials Project

Abstract

PtSbSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pt5+ is bonded to three equivalent Sb3- and three equivalent Se2- atoms to form PtSb3Se3 octahedra that share corners with twelve equivalent PtSb3Se3 octahedra, corners with three equivalent SbPt3Se tetrahedra, and corners with three equivalent SeSbPt3 tetrahedra. The corner-sharing octahedra tilt angles range from 63–64°. All Pt–Sb bond lengths are 2.67 Å. All Pt–Se bond lengths are 2.68 Å. Sb3- is bonded to three equivalent Pt5+ and one Se2- atom to form SbPt3Se tetrahedra that share corners with three equivalent PtSb3Se3 octahedra, corners with six equivalent SbPt3Se tetrahedra, and corners with nine equivalent SeSbPt3 tetrahedra. The corner-sharing octahedral tilt angles are 79°. The Sb–Se bond length is 2.70 Å. Se2- is bonded to three equivalent Pt5+ and one Sb3- atom to form SeSbPt3 tetrahedra that share corners with three equivalent PtSb3Se3 octahedra, corners with six equivalent SeSbPt3 tetrahedra, and corners with nine equivalent SbPt3Se tetrahedra. The corner-sharing octahedral tilt angles are 79°.