Materials Data on GeTeRh by Materials Project

Abstract

RhGeTe crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Rh is bonded to three equivalent Ge and three equivalent Te atoms to form distorted RhGe3Te3 octahedra that share corners with ten equivalent RhGe3Te3 octahedra, corners with three equivalent GeTeRh3 tetrahedra, corners with three equivalent TeGeRh3 tetrahedra, and an edgeedge with one RhGe3Te3 octahedra. The corner-sharing octahedra tilt angles range from 47–65°. There are one shorter (2.46 Å) and two longer (2.48 Å) Rh–Ge bond lengths. There are a spread of Rh–Te bond distances ranging from 2.69–2.72 Å. Ge is bonded to three equivalent Rh and one Te atom to form distorted GeTeRh3 tetrahedra that share corners with three equivalent RhGe3Te3 octahedra, corners with four equivalent GeTeRh3 tetrahedra, corners with nine equivalent TeGeRh3 tetrahedra, and an edgeedge with one GeTeRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 73–87°. The Ge–Te bond length is 2.76 Å. Te is bonded to three equivalent Rh and one Ge atom to form distorted TeGeRh3 tetrahedra that share corners with three equivalent RhGe3Te3 octahedra, corners with six equivalent TeGeRh3 tetrahedra, and corners with nine equivalent GeTeRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 72–77°.