Materials Data on Dy6Mn23 by Materials Project

Abstract

Dy6Mn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Dy–Mn bond distances ranging from 2.94–3.05 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to three equivalent Dy and nine Mn atoms to form distorted MnDy3Mn9 cuboctahedra that share corners with twelve MnDy3Mn9 cuboctahedra and faces with twelve MnDy4Mn8 cuboctahedra. There are six shorter (2.46 Å) and three longer (2.58 Å) Mn–Mn bond lengths. 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 2.53 Å. In the third Mn site, Mn is bonded to four equivalent Dy and eight Mn atoms to form a mixture of face and corner-sharing MnDy4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.62 Å. In the fourth Mn site, Mn is bonded in a 10-coordinate geometry to three equivalent Dy and ten Mn atoms. All Mn–Mn bond lengths are 2.92 Å.