Materials Data on Dy6Fe23 by Materials Project

Abstract

Dy6Fe23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Dy–Fe bond distances ranging from 2.89–3.05 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted q6 geometry to three equivalent Dy and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.61 Å. In the second Fe site, Fe is bonded in a body-centered cubic geometry to eight equivalent Fe atoms. All Fe–Fe bond lengths are 2.54 Å. In the third Fe site, Fe is bonded to four equivalent Dy and eight Fe atoms to form a mixture of face and corner-sharing FeDy4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.63 Å. In the fourth Fe site, Fe is bonded in a 10-coordinate geometry to three equivalent Dy and ten Fe atoms. All Fe–Fe bond lengths are 2.93 Å.