Materials Data on Er(MnAl)6 by Materials Project

Er(MnAl)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to twelve Mn and eight Al atoms. There are four shorter (3.18 Å) and eight longer (3.30 Å) Er–Mn bond lengths. There are a spread of Er–Al bond distances ranging from 2.89–3.05 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Er, four Mn, and six Al atoms. There are two shorter (2.46 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 Er, four equivalent Mn, and six Al atoms to form a mixture of distorted face, edge, and corner-sharing MnEr2Mn4Al6 cuboctahedra. There are two shorter (2.61 Å) and four longer (2.64 Å) Mn–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Er, six Mn, and three Al atoms. There are one shorter (2.69 Å) and two longer (2.80 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 8-coordinate geometry to one Er, six Mn, and one Al atom. The Al–Al bond length is 2.78 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Er, six Mn, and two equivalent Al atoms.