Materials Data on Gd6Mn23 by Materials Project

Abstract

Gd6Mn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to twelve Mn atoms. There are four shorter (2.92 Å) and eight longer (3.08 Å) Gd–Mn bond lengths. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted q6 geometry to three equivalent Gd and nine Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.49–2.67 Å. In the second Mn site, Mn is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. All Mn–Mn bond lengths are 2.51 Å. In the third Mn site, Mn is bonded to four equivalent Gd and eight Mn atoms to form a mixture of corner and face-sharing MnGd4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.68 Å. In the fourth Mn site, Mn is bonded in a 4-coordinate geometry to three equivalent Gd and ten Mn atoms. All Mn–Mn bond lengths are 2.90 Å.