Materials Data on BiRhS by Materials Project

Abstract

RhBiS is Spinel-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 S atoms to form RhBi3S3 octahedra that share corners with twelve equivalent RhBi3S3 octahedra, corners with three equivalent BiRh3S tetrahedra, and corners with three equivalent SBiRh3 trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. All Rh–Bi bond lengths are 2.71 Å. All Rh–S bond lengths are 2.47 Å. Bi is bonded to three equivalent Rh and one S atom to form distorted BiRh3S tetrahedra that share corners with three equivalent RhBi3S3 octahedra, corners with six equivalent BiRh3S tetrahedra, and corners with nine equivalent SBiRh3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. The Bi–S bond length is 2.65 Å. S is bonded to three equivalent Rh and one Bi atom to form SBiRh3 trigonal pyramids that share corners with three equivalent RhBi3S3 octahedra, corners with nine equivalent BiRh3S tetrahedra, and corners with six equivalent SBiRh3 trigonal pyramids. The corner-sharing octahedral tilt angles are 79°.