Materials Data on Lu3Sn by Materials Project

Abstract

Lu3Sn is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded to eight equivalent Lu and four equivalent Sn atoms to form distorted LuLu8Sn4 cuboctahedra that share corners with four equivalent SnLu12 cuboctahedra, corners with fourteen equivalent LuLu8Sn4 cuboctahedra, edges with six equivalent SnLu12 cuboctahedra, edges with twelve equivalent LuLu8Sn4 cuboctahedra, faces with four equivalent SnLu12 cuboctahedra, and faces with sixteen equivalent LuLu8Sn4 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.30–3.41 Å. There are two shorter (3.33 Å) and two longer (3.35 Å) Lu–Sn bond lengths. Sn is bonded to twelve equivalent Lu atoms to form SnLu12 cuboctahedra that share corners with six equivalent SnLu12 cuboctahedra, corners with twelve equivalent LuLu8Sn4 cuboctahedra, edges with eighteen equivalent LuLu8Sn4 cuboctahedra, faces with eight equivalent SnLu12 cuboctahedra, and faces with twelve equivalent LuLu8Sn4 cuboctahedra.