Materials Data on LaBeAl3 by Materials Project

Abstract

BeLaAl3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Be is bonded to four equivalent La and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing BeLa4Al4 tetrahedra. All Be–La bond lengths are 3.44 Å. All Be–Al bond lengths are 2.55 Å. La is bonded in a 8-coordinate geometry to four equivalent Be and twelve Al atoms. There are eight shorter (3.28 Å) and four longer (3.44 Å) La–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Al atoms. All Al–Al bond lengths are 2.55 Å. In the second Al site, Al is bonded in a 9-coordinate geometry to two equivalent Be, four equivalent La, and three Al atoms. The Al–Al bond length is 2.59 Å.