Materials Data on AlV2Fe by Materials Project
VFeVAl crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 2-coordinate geometry to two equivalent V and two equivalent Fe atoms. Both V–V bond lengths are 2.56 Å. Both V–Fe bond lengths are 2.49 Å. In the second V site, V is bonded in a distorted body-centered cubic geometry to six V and two equivalent Al atoms. All V–V bond lengths are 2.61 Å. Both V–Al bond lengths are 2.69 Å. Fe is bonded in a 12-coordinate geometry to two equivalent V and two equivalent Al atoms. Both Fe–Al bond lengths are 2.48 Å. Al is bonded in a 2-coordinate geometry to two equivalent V and two equivalent Fe atoms.
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