Materials Data on SbTeIr by Materials Project

Abstract

IrSbTe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ir5+ is bonded to three equivalent Sb3- and three equivalent Te2- atoms to form IrSb3Te3 octahedra that share corners with twelve equivalent IrSb3Te3 octahedra, corners with three equivalent SbTeIr3 trigonal pyramids, and corners with three equivalent TeSbIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. All Ir–Sb bond lengths are 2.67 Å. All Ir–Te bond lengths are 2.70 Å. Sb3- is bonded to three equivalent Ir5+ and one Te2- atom to form distorted SbTeIr3 trigonal pyramids that share corners with three equivalent IrSb3Te3 octahedra, corners with six equivalent SbTeIr3 trigonal pyramids, and corners with nine equivalent TeSbIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. The Sb–Te bond length is 2.85 Å. Te2- is bonded to three equivalent Ir5+ and one Sb3- atom to form TeSbIr3 trigonal pyramids that share corners with three equivalent IrSb3Te3 octahedra, corners with six equivalent TeSbIr3 trigonal pyramids, and corners with nine equivalent SbTeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°.