Materials Data on La2Al3Sn by Materials Project

Abstract

La2Al3Sn is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to ten Al and two equivalent Sn atoms to form a mixture of edge and face-sharing LaAl10Sn2 cuboctahedra. There are a spread of La–Al bond distances ranging from 3.34–3.43 Å. Both La–Sn bond lengths are 3.46 Å. In the second La site, La is bonded to eight Al and four equivalent Sn atoms to form a mixture of edge and face-sharing LaAl8Sn4 cuboctahedra. There are a spread of La–Al bond distances ranging from 3.38–3.52 Å. All La–Sn bond lengths are 3.43 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to six La and three Al atoms. There are one shorter (2.54 Å) and two longer (2.55 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 2-coordinate geometry to six La, one Al, and two equivalent Sn atoms. Both Al–Sn bond lengths are 2.67 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to six La, two equivalent Al, and one Sn atom. The Al–Sn bond length is 2.67 Å. Sn is bonded in a 3-coordinate geometry to six La and three Al atoms.