Materials Data on BiTeRh by Materials Project

Abstract

RhBiTe is Ilmenite-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Rh is bonded to three equivalent Bi and three equivalent Te atoms to form RhBi3Te3 octahedra that share corners with twelve equivalent RhBi3Te3 octahedra, corners with three equivalent BiTeRh3 trigonal pyramids, and corners with three equivalent TeBiRh3 trigonal pyramids. The corner-sharing octahedral tilt angles are 62°. All Rh–Bi bond lengths are 2.76 Å. All Rh–Te bond lengths are 2.70 Å. Bi is bonded to three equivalent Rh and one Te atom to form distorted BiTeRh3 trigonal pyramids that share corners with three equivalent RhBi3Te3 octahedra, corners with six equivalent BiTeRh3 trigonal pyramids, and corners with nine equivalent TeBiRh3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°. The Bi–Te bond length is 2.95 Å. Te is bonded to three equivalent Rh and one Bi atom to form distorted TeBiRh3 trigonal pyramids that share corners with three equivalent RhBi3Te3 octahedra, corners with six equivalent TeBiRh3 trigonal pyramids, and corners with nine equivalent BiTeRh3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°.