Materials Data on GePtS by Materials Project

Abstract

PtGeS is Spinel-like structured and crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. Pt2- is bonded to three equivalent Ge4+ and three equivalent S2- atoms to form PtGe3S3 octahedra that share corners with twelve equivalent PtGe3S3 octahedra, corners with three equivalent GePt3S tetrahedra, and corners with three equivalent SGePt3 tetrahedra. The corner-sharing octahedra tilt angles range from 64–65°. All Pt–Ge bond lengths are 2.48 Å. There are one shorter (2.48 Å) and two longer (2.49 Å) Pt–S bond lengths. Ge4+ is bonded to three equivalent Pt2- and one S2- atom to form GePt3S tetrahedra that share corners with three equivalent PtGe3S3 octahedra, corners with six equivalent GePt3S tetrahedra, and corners with nine equivalent SGePt3 tetrahedra. The corner-sharing octahedra tilt angles range from 76–78°. The Ge–S bond length is 2.35 Å. S2- is bonded to three equivalent Pt2- and one Ge4+ atom to form SGePt3 tetrahedra that share corners with three equivalent PtGe3S3 octahedra, corners with six equivalent SGePt3 tetrahedra, and corners with nine equivalent GePt3S tetrahedra. The corner-sharing octahedra tilt angles range from 77–78°.