Materials Data on SnTePt by Materials Project

Abstract

PtSnTe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pt2- is bonded to three equivalent Sn4+ and three equivalent Te2- atoms to form PtSn3Te3 octahedra that share corners with twelve equivalent PtSn3Te3 octahedra, corners with three equivalent SnTePt3 trigonal pyramids, and corners with three equivalent TeSnPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. All Pt–Sn bond lengths are 2.72 Å. All Pt–Te bond lengths are 2.74 Å. Sn4+ is bonded to three equivalent Pt2- and one Te2- atom to form distorted SnTePt3 trigonal pyramids that share corners with three equivalent PtSn3Te3 octahedra, corners with six equivalent SnTePt3 trigonal pyramids, and corners with nine equivalent TeSnPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. The Sn–Te bond length is 2.89 Å. Te2- is bonded to three equivalent Pt2- and one Sn4+ atom to form distorted TeSnPt3 trigonal pyramids that share corners with three equivalent PtSn3Te3 octahedra, corners with six equivalent TeSnPt3 trigonal pyramids, and corners with nine equivalent SnTePt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°.