Materials Data on La2Al2Ge by Materials Project

Abstract

La2Al2Ge crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to two equivalent Al and five equivalent Ge atoms. Both La–Al bond lengths are 3.26 Å. There are four shorter (3.19 Å) and one longer (3.32 Å) La–Ge bond lengths. In the second La site, La is bonded to ten Al and two equivalent Ge atoms to form a mixture of distorted edge and face-sharing LaAl10Ge2 cuboctahedra. There are a spread of La–Al bond distances ranging from 3.30–3.40 Å. Both La–Ge bond lengths are 3.53 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to six La, one Al, and two equivalent Ge atoms. The Al–Al bond length is 2.58 Å. Both Al–Ge bond lengths are 2.56 Å. In the second Al site, Al is bonded in a 9-coordinate geometry to six equivalent La and three Al atoms. Both Al–Al bond lengths are 2.63 Å. Ge is bonded in a 2-coordinate geometry to seven La and two equivalent Al atoms.