Materials Data on La2Al3Ge by Materials Project

Abstract

La2Al3Ge is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. La is bonded to nine Al and three equivalent Ge atoms to form a mixture of edge and face-sharing LaAl9Ge3 cuboctahedra. There are three shorter (3.37 Å) and six longer (3.38 Å) La–Al bond lengths. All La–Ge bond lengths are 3.37 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Al atoms. All Al–Al bond lengths are 2.54 Å. In the second Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent La and three equivalent Ge atoms. All Al–Ge bond lengths are 2.54 Å. In the third Al site, Al is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Al atoms. Ge is bonded in a distorted trigonal planar geometry to six equivalent La and three equivalent Al atoms.