Materials Data on Al10V by Materials Project

Abstract

Al10V is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. V is bonded to twelve Al atoms to form VAl12 cuboctahedra that share corners with six equivalent VAl12 cuboctahedra and edges with six equivalent AlAl12 cuboctahedra. There are six shorter (2.56 Å) and six longer (2.84 Å) V–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded to twelve equivalent Al atoms to form AlAl12 cuboctahedra that share edges with six equivalent VAl12 cuboctahedra and edges with six equivalent AlAl12 cuboctahedra. All Al–Al bond lengths are 3.07 Å. In the second Al site, Al is bonded in a 11-coordinate geometry to one V and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.66–2.96 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent V and ten Al atoms. All Al–Al bond lengths are 2.87 Å.