Materials Data on MnAlV2 by Materials Project

Abstract

V2MnAl is Tungsten-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are three inequivalent V sites. In the first V site, V is bonded in a distorted body-centered cubic geometry to four V and four Mn atoms. All V–V bond lengths are 2.58 Å. All V–Mn bond lengths are 2.58 Å. In the second V site, V is bonded in a 8-coordinate geometry to four equivalent V, six Mn, and four equivalent Al atoms. There are four shorter (2.96 Å) and two longer (2.99 Å) V–Mn bond lengths. All V–Al bond lengths are 2.58 Å. In the third V site, V is bonded in a 8-coordinate geometry to four equivalent V, six Mn, and four equivalent Al atoms. There are four shorter (2.96 Å) and two longer (2.99 Å) V–Mn bond lengths. All V–Al bond lengths are 2.58 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to ten V and four equivalent Al atoms. All Mn–Al bond lengths are 2.58 Å. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to ten V and four equivalent Al atoms. All Mn–Al bond lengths are 2.58 Å. Al is bonded in a distorted body-centered cubic geometry to four V and four Mn atoms.