Materials Data on Rb3Lu by Materials Project

Abstract

Rb3Lu is beta Cu3Ti-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 Lu atoms to form distorted RbRb8Lu4 cuboctahedra that share corners with twelve equivalent RbRb8Lu4 cuboctahedra, edges with eight equivalent LuRb12 cuboctahedra, edges with sixteen RbRb8Lu4 cuboctahedra, faces with four equivalent LuRb12 cuboctahedra, and faces with fourteen RbRb8Lu4 cuboctahedra. There are four shorter (4.49 Å) and four longer (4.57 Å) Rb–Rb bond lengths. All Rb–Lu bond lengths are 4.57 Å. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Lu atoms to form distorted RbRb8Lu4 cuboctahedra that share corners with four equivalent RbRb8Lu4 cuboctahedra, corners with eight equivalent LuRb12 cuboctahedra, edges with twenty-four RbRb8Lu4 cuboctahedra, faces with six equivalent LuRb12 cuboctahedra, and faces with twelve RbRb8Lu4 cuboctahedra. All Rb–Lu bond lengths are 4.49 Å. Lu is bonded to twelve Rb atoms to form LuRb12 cuboctahedra that share corners with four equivalent LuRb12 cuboctahedra, corners with eight equivalent RbRb8Lu4 cuboctahedra, edges with eight equivalent LuRb12 cuboctahedra, edges with sixteen equivalent RbRb8Lu4 cuboctahedra, faces with four equivalent LuRb12 cuboctahedra, and faces with fourteen RbRb8Lu4 cuboctahedra.