Materials Data on Ho6Mn23 by Materials Project

Abstract

Ho6Mn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Ho–Mn bond distances ranging from 2.94–3.06 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. All Mn–Mn bond lengths are 2.54 Å. In the second Mn site, Mn is bonded in a distorted q6 geometry to three equivalent Ho and nine Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.47–2.60 Å. In the third Mn site, Mn is bonded to four equivalent Ho and eight Mn atoms to form a mixture of face and corner-sharing MnHo4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.63 Å. In the fourth Mn site, Mn is bonded in a 10-coordinate geometry to three equivalent Ho and ten Mn atoms. All Mn–Mn bond lengths are 2.93 Å.