Materials Data on Mn5Al2V by Materials Project

Abstract

VMn5Al2 is Heusler-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to eight Mn atoms. There are six shorter (2.51 Å) and two longer (2.52 Å) V–Mn bond lengths. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to one V, three equivalent Mn, and four equivalent Al atoms. All Mn–Mn bond lengths are 2.50 Å. There are a spread of Mn–Al bond distances ranging from 2.48–2.51 Å. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to three equivalent V, one Mn, and four equivalent Al atoms. The Mn–Mn bond length is 2.49 Å. There are three shorter (2.51 Å) and one longer (2.53 Å) Mn–Al bond lengths. In the third Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Mn and six equivalent Al atoms. There are two shorter (2.88 Å) and four longer (2.89 Å) Mn–Al bond lengths. Al is bonded in a distorted body-centered cubic geometry to eleven Mn atoms.