Materials Data on Lu6Zn23 by Materials Project

Abstract

Lu6Zn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to twelve Zn atoms. There are eight shorter (3.07 Å) and four longer (3.19 Å) Lu–Zn bond lengths. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Lu and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–2.81 Å. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Zn–Zn bond lengths are 2.65 Å. In the third Zn site, Zn is bonded to four equivalent Lu and eight Zn atoms to form a mixture of face and corner-sharing ZnLu4Zn8 cuboctahedra. All Zn–Zn bond lengths are 2.75 Å. In the fourth Zn site, Zn is bonded in a 10-coordinate geometry to three equivalent Lu and ten Zn atoms. All Zn–Zn bond lengths are 3.06 Å.