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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LiNdSn by Materials Project

LiNdSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Nd and four equivalent Sn atoms. All Li–Nd bond lengths are 2.92 Å. All Li–Sn bond lengths are 2.92 Å. Nd is bonded in a 10-coordinate geometry to four equivalent Li and six equivalent Sn atoms. All Nd–Sn bond lengths are 3.37 Å. Sn is bonded to four equivalent Li and six equivalent Nd atoms to form a mixture of distorted face and corner-sharing SnLi4Nd6 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiNdSn2 by Materials Project

LiNdSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Nd and five Sn atoms. All Li–Nd bond lengths are 3.47 Å. There are a spread of Li–Sn bond distances ranging from 2.53–2.68 Å. Nd is bonded in a 4-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.42–3.66 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Li and four equivalent Nd atoms to form a mixture of distorted edge and face-sharing SnLi4Nd4 tetrahedra. In the second Sn site, Sn is bonded in a distorted single-bond geometry to one Li and six equivalent Nd atoms.

36 MATERIALS SCIENCE↗