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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Li2MgPb by Materials Project

Li2MgPb 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 Mg and four equivalent Pb atoms. All Li–Mg bond lengths are 2.96 Å. All Li–Pb bond lengths are 2.96 Å. Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Li and six equivalent Pb atoms. All Mg–Pb bond lengths are 3.42 Å. Pb is bonded in a body-centered cubic geometry to eight equivalent Li and six equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2MgPb by Materials Project

Li2MgPb crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 4-coordinate geometry to four equivalent Li, four equivalent Mg, and six equivalent Pb atoms. All Li–Li bond lengths are 2.99 Å. All Li–Mg bond lengths are 2.99 Å. All Li–Pb bond lengths are 3.45 Å. In the second Li site, Li is bonded to four equivalent Li and four equivalent Pb atoms to form distorted edge-sharing LiLi4Pb4 tetrahedra. All Li–Pb bond lengths are 2.99 Å. Mg is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pb atoms. All Mg–Pb bond lengths are 2.99 Å. Pb is bonded in a body-centered cubic geometry to ten Li and four equivalent Mg atoms.

36 MATERIALS SCIENCE↗