Materials Data on LiAl by Materials Project

Abstract

LiAl crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded in a 11-coordinate geometry to four equivalent Li and seven Al atoms. There are one shorter (2.86 Å) and three longer (2.95 Å) Li–Li bond lengths. There are one shorter (2.87 Å) and six longer (2.95 Å) Li–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to six equivalent Li and three equivalent Al atoms. All Al–Al bond lengths are 2.58 Å. In the second Al site, Al is bonded in a 11-coordinate geometry to eight equivalent Li and three equivalent Al atoms.