Materials Data on Tm6Zn23 by Materials Project

Abstract

Tm6Zn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to twelve Zn atoms. There are a spread of Tm–Zn bond distances ranging from 3.07–3.20 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Tm and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.58–2.82 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 2.66 Å. In the third Zn site, Zn is bonded to four equivalent Tm and eight Zn atoms to form a mixture of face and corner-sharing ZnTm4Zn8 cuboctahedra. All Zn–Zn bond lengths are 2.76 Å. In the fourth Zn site, Zn is bonded in a 10-coordinate geometry to three equivalent Tm and ten Zn atoms. All Zn–Zn bond lengths are 3.07 Å.