Materials Data on ScSnPt by Materials Project

Abstract

ScPtSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Sn atoms. All Sc–Pt bond lengths are 2.81 Å. All Sc–Sn bond lengths are 2.81 Å. Pt is bonded to four equivalent Sc and six equivalent Sn atoms to form distorted PtSc4Sn6 tetrahedra that share corners with four equivalent SnSc4Pt6 tetrahedra, corners with six equivalent PtSc4Sn6 tetrahedra, edges with six equivalent SnSc4Pt6 tetrahedra, and faces with twelve equivalent PtSc4Sn6 tetrahedra. All Pt–Sn bond lengths are 3.25 Å. Sn is bonded to four equivalent Sc and six equivalent Pt atoms to form distorted SnSc4Pt6 tetrahedra that share corners with four equivalent PtSc4Sn6 tetrahedra, corners with six equivalent SnSc4Pt6 tetrahedra, edges with six equivalent PtSc4Sn6 tetrahedra, and faces with twelve equivalent SnSc4Pt6 tetrahedra.