Materials Data on Sr3Lu by Materials Project

Abstract

Sr3Lu1 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to eight Sr and four equivalent Lu atoms to form SrSr8Lu4 cuboctahedra that share corners with twelve equivalent SrSr8Lu4 cuboctahedra, edges with eight equivalent LuSr12 cuboctahedra, edges with sixteen SrSr8Lu4 cuboctahedra, faces with four equivalent LuSr12 cuboctahedra, and faces with fourteen SrSr8Lu4 cuboctahedra. There are four shorter (4.02 Å) and four longer (4.04 Å) Sr–Sr bond lengths. All Sr–Lu bond lengths are 4.04 Å. In the second Sr site, Sr is bonded to eight equivalent Sr and four equivalent Lu atoms to form SrSr8Lu4 cuboctahedra that share corners with four equivalent SrSr8Lu4 cuboctahedra, corners with eight equivalent LuSr12 cuboctahedra, edges with twenty-four SrSr8Lu4 cuboctahedra, faces with six equivalent LuSr12 cuboctahedra, and faces with twelve SrSr8Lu4 cuboctahedra. All Sr–Lu bond lengths are 4.02 Å. Lu is bonded to twelve Sr atoms to form LuSr12 cuboctahedra that share corners with four equivalent LuSr12 cuboctahedra, corners with eight equivalent SrSr8Lu4 cuboctahedra, edges with eight equivalent LuSr12 cuboctahedra, edges with sixteen equivalent SrSr8Lu4 cuboctahedra, faces with four equivalent LuSr12 cuboctahedra, and faces with fourteen SrSr8Lu4 cuboctahedra.