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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NaLi2Sn by Materials Project

NaLi2Sn crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to two equivalent Li and four equivalent Sn atoms. Both Na–Li bond lengths are 2.92 Å. All Na–Sn bond lengths are 3.14 Å. Li is bonded in a distorted single-bond geometry to one Na and one Sn atom. The Li–Sn bond length is 2.74 Å. Sn is bonded to four equivalent Na and two equivalent Li atoms to form a mixture of distorted edge and corner-sharing SnNa4Li2 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaLi2Sn by Materials Project

NaLi2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Sn atoms. All Na–Li bond lengths are 3.00 Å. All Na–Sn bond lengths are 3.46 Å. Li is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Sn atoms. All Li–Sn bond lengths are 3.00 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Na and eight equivalent Li atoms.

36 MATERIALS SCIENCE↗