Materials Data on Al8V5 by Materials Project

Abstract

Al8V5 is gamma-brass structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 4-coordinate geometry to three V and ten Al atoms. There are two shorter (2.76 Å) and one longer (2.83 Å) V–V bond lengths. There are a spread of V–Al bond distances ranging from 2.60–2.95 Å. In the second V site, V is bonded in a 12-coordinate geometry to three equivalent V and nine Al atoms. There are a spread of V–Al bond distances ranging from 2.62–2.78 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to six V and six Al atoms. There are three shorter (2.81 Å) and three longer (2.90 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 11-coordinate geometry to six V and five Al atoms. All Al–Al bond lengths are 2.69 Å.