Materials Data on GeTePt by Materials Project

Abstract

PtGeTe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pt2- is bonded to three equivalent Ge4+ and three equivalent Te2- atoms to form PtGe3Te3 octahedra that share corners with twelve equivalent PtGe3Te3 octahedra, corners with three equivalent TeGePt3 tetrahedra, and corners with three equivalent GeTePt3 trigonal pyramids. The corner-sharing octahedra tilt angles range from 63–64°. All Pt–Ge bond lengths are 2.56 Å. All Pt–Te bond lengths are 2.72 Å. Ge4+ is bonded to three equivalent Pt2- and one Te2- atom to form distorted GeTePt3 trigonal pyramids that share corners with three equivalent PtGe3Te3 octahedra, corners with nine equivalent TeGePt3 tetrahedra, and corners with six equivalent GeTePt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 78°. The Ge–Te bond length is 2.70 Å. Te2- is bonded to three equivalent Pt2- and one Ge4+ atom to form TeGePt3 tetrahedra that share corners with three equivalent PtGe3Te3 octahedra, corners with six equivalent TeGePt3 tetrahedra, and corners with nine equivalent GeTePt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°.