Materials Data on Er6Zn23 by Materials Project

Abstract

Er6Zn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.08–3.21 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to three equivalent Er and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.69–2.76 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Er and nine Zn atoms. There are three shorter (2.58 Å) and three longer (2.84 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. In the fourth Zn site, Zn is bonded to four equivalent Er and eight Zn atoms to form a mixture of corner and face-sharing ZnEr4Zn8 cuboctahedra.