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DOE OSTI2020

Materials Data on Li2LaSn by Materials Project

Li2LaSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent La and four equivalent Sn atoms. All Li–La bond lengths are 3.05 Å. All Li–Sn bond lengths are 3.05 Å. La is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Sn atoms. All La–Sn bond lengths are 3.52 Å. Sn is bonded in a distorted body-centered cubic geometry to eight equivalent Li and six equivalent La atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on LiLaSn2 by Materials Project

LiLaSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent La and five Sn atoms. All Li–La bond lengths are 3.53 Å. There are a spread of Li–Sn bond distances ranging from 2.56–2.70 Å. La is bonded in a 4-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of La–Sn bond distances ranging from 3.46–3.69 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted single-bond geometry to one Li and six equivalent La atoms. In the second Sn site, Sn is bonded to four equivalent Li and four equivalent La atoms to form a mixture of distorted edge and face-sharing SnLi4La4 tetrahedra.

36 MATERIALS SCIENCE↗