Materials Data on SbPtS by Materials Project

Abstract

PtSbS is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pt5+ is bonded to three equivalent Sb3- and three equivalent S2- atoms to form PtSb3S3 octahedra that share corners with twelve equivalent PtSb3S3 octahedra, corners with three equivalent SbPt3S tetrahedra, and corners with three equivalent SSbPt3 tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Pt–Sb bond lengths are 2.66 Å. All Pt–S bond lengths are 2.59 Å. Sb3- is bonded to three equivalent Pt5+ and one S2- atom to form SbPt3S tetrahedra that share corners with three equivalent PtSb3S3 octahedra, corners with six equivalent SbPt3S tetrahedra, and corners with nine equivalent SSbPt3 tetrahedra. The corner-sharing octahedral tilt angles are 78°. The Sb–S bond length is 2.54 Å. S2- is bonded to three equivalent Pt5+ and one Sb3- atom to form SSbPt3 tetrahedra that share corners with three equivalent PtSb3S3 octahedra, corners with six equivalent SSbPt3 tetrahedra, and corners with nine equivalent SbPt3S tetrahedra. The corner-sharing octahedral tilt angles are 78°.