Materials Data on Dy(MnAl)6 by Materials Project

Abstract

Dy(MnAl)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to twelve Mn and eight Al atoms. There are four shorter (3.18 Å) and eight longer (3.31 Å) Dy–Mn bond lengths. There are a spread of Dy–Al bond distances ranging from 2.91–3.06 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Dy, four Mn, and six Al atoms. There are two shorter (2.45 Å) and two longer (2.52 Å) Mn–Mn bond lengths. There are a spread of Mn–Al bond distances ranging from 2.52–2.63 Å. In the second Mn site, Mn is bonded to two equivalent Dy, four equivalent Mn, and six Al atoms to form a mixture of distorted corner, edge, and face-sharing MnDy2Mn4Al6 cuboctahedra. There are a spread of Mn–Al bond distances ranging from 2.61–2.68 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Dy, six Mn, and three Al atoms. There are one shorter (2.67 Å) and two longer (2.78 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 8-coordinate geometry to one Dy, six Mn, and three Al atoms. There are one shorter (2.82 Å) and two longer (2.99 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Dy, six Mn, and four Al atoms.