Materials Data on BiRhSe by Materials Project

Abstract

RhBiSe 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 Se atoms to form RhBi3Se3 octahedra that share corners with twelve equivalent RhBi3Se3 octahedra, corners with three equivalent BiRh3Se trigonal pyramids, and corners with three equivalent SeBiRh3 trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. All Rh–Bi bond lengths are 2.72 Å. All Rh–Se bond lengths are 2.57 Å. Bi is bonded to three equivalent Rh and one Se atom to form distorted BiRh3Se trigonal pyramids that share corners with three equivalent RhBi3Se3 octahedra, corners with six equivalent BiRh3Se trigonal pyramids, and corners with nine equivalent SeBiRh3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. The Bi–Se bond length is 2.77 Å. Se is bonded to three equivalent Rh and one Bi atom to form SeBiRh3 trigonal pyramids that share corners with three equivalent RhBi3Se3 octahedra, corners with six equivalent SeBiRh3 trigonal pyramids, and corners with nine equivalent BiRh3Se trigonal pyramids. The corner-sharing octahedral tilt angles are 80°.