Materials Data on Ho6Fe23 by Materials Project
Ho6Fe23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Ho–Fe bond distances ranging from 2.89–3.03 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 10-coordinate geometry to three equivalent Ho and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.52–2.91 Å. In the second Fe site, Fe is bonded in a body-centered cubic geometry to eight equivalent Fe atoms. In the third Fe site, Fe is bonded to four equivalent Ho and eight Fe atoms to form a mixture of face and corner-sharing FeHo4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.45 Å. In the fourth Fe site, Fe is bonded in a distorted q6 geometry to three equivalent Ho and nine Fe atoms. All Fe–Fe bond lengths are 2.53 Å.