Materials Data on AsPtS by Materials Project

Abstract

PtAsS crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pt5+ is bonded to three equivalent As3- and three equivalent S2- atoms to form PtAs3S3 octahedra that share corners with twelve equivalent PtAs3S3 octahedra, corners with three equivalent AsPt3S tetrahedra, and corners with three equivalent SAsPt3 tetrahedra. The corner-sharing octahedra tilt angles range from 64–65°. All Pt–As bond lengths are 2.51 Å. All Pt–S bond lengths are 2.54 Å. As3- is bonded to three equivalent Pt5+ and one S2- atom to form distorted AsPt3S tetrahedra that share corners with three equivalent PtAs3S3 octahedra, corners with six equivalent AsPt3S tetrahedra, and corners with nine equivalent SAsPt3 tetrahedra. The corner-sharing octahedral tilt angles are 76°. The As–S bond length is 2.34 Å. S2- is bonded to three equivalent Pt5+ and one As3- atom to form SAsPt3 tetrahedra that share corners with three equivalent PtAs3S3 octahedra, corners with six equivalent SAsPt3 tetrahedra, and corners with nine equivalent AsPt3S tetrahedra. The corner-sharing octahedral tilt angles are 78°.