Materials Data on Eu2Mn5Al12 by Materials Project

Abstract

Eu2Mn5Al12 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Eu is bonded in a 3-coordinate geometry to one Mn and fifteen Al atoms. The Eu–Mn bond length is 3.22 Å. There are a spread of Eu–Al bond distances ranging from 3.18–3.65 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Mn and eight Al atoms. Both Mn–Mn bond lengths are 2.78 Å. There are four shorter (2.53 Å) and four longer (2.57 Å) Mn–Al bond lengths. In the second Mn site, Mn is bonded in a 4-coordinate geometry to one Eu, four Mn, and nine Al atoms. The Mn–Mn bond length is 2.56 Å. There are three shorter (2.65 Å) and six longer (2.87 Å) Mn–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to two equivalent Eu, four Mn, and six Al atoms to form a mixture of distorted edge, face, and corner-sharing AlEu2Mn4Al6 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.57–2.80 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to three equivalent Eu, three Mn, and six Al atoms. Both Al–Al bond lengths are 2.89 Å.