Materials Data on Rb3Sm by Materials Project

Abstract

Rb3Sm is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to eight Rb and four equivalent Sm atoms to form RbRb8Sm4 cuboctahedra that share corners with twelve equivalent RbRb8Sm4 cuboctahedra, edges with eight equivalent RbRb8Sm4 cuboctahedra, edges with eight equivalent SmRb12 cuboctahedra, faces with four equivalent SmRb12 cuboctahedra, and faces with ten equivalent RbRb8Sm4 cuboctahedra. There are four shorter (4.35 Å) and four longer (4.64 Å) Rb–Rb bond lengths. All Rb–Sm bond lengths are 4.64 Å. In the second Rb site, Rb is bonded in a distorted square co-planar geometry to eight equivalent Rb and four equivalent Sm atoms. All Rb–Sm bond lengths are 4.35 Å. Sm is bonded to twelve Rb atoms to form SmRb12 cuboctahedra that share corners with four equivalent SmRb12 cuboctahedra, edges with eight equivalent SmRb12 cuboctahedra, edges with sixteen equivalent RbRb8Sm4 cuboctahedra, faces with four equivalent SmRb12 cuboctahedra, and faces with eight equivalent RbRb8Sm4 cuboctahedra.