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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LiGePd2 by Materials Project

LiPd2Ge 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 eight equivalent Pd and six equivalent Ge atoms. All Li–Pd bond lengths are 2.64 Å. All Li–Ge bond lengths are 3.04 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ge atoms. All Pd–Ge bond lengths are 2.64 Å. Ge is bonded in a 8-coordinate geometry to six equivalent Li and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2GePd by Materials Project

Li2PdGe 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 Pd and four equivalent Ge atoms. All Li–Pd bond lengths are 2.62 Å. All Li–Ge bond lengths are 2.62 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Li atoms. Ge is bonded in a body-centered cubic geometry to eight equivalent Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2GePd by Materials Project

Li2PdGe is Zintl Phase-derived structured and 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 to four equivalent Pd and six equivalent Ge atoms to form distorted LiGe6Pd4 tetrahedra that share corners with six equivalent LiGe6Pd4 tetrahedra, edges with twelve equivalent LiGe4Pd6 tetrahedra, and faces with sixteen LiGe6Pd4 tetrahedra. All Li–Pd bond lengths are 2.63 Å. All Li–Ge bond lengths are 3.04 Å. In the second Li site, Li is bonded to six equivalent Pd and four equivalent Ge atoms to form distorted LiGe4Pd6 tetrahedra that share corners with six equivalent LiGe4Pd6 tetrahedra, edges with twelve equivalent LiGe6Pd4 tetrahedra, and faces with sixteen LiGe6Pd4 tetrahedra. All Li–Pd bond lengths are 3.04 Å. All Li–Ge bond lengths are 2.63 Å. Pd is bonded in a 8-coordinate geometry to ten Li and four equivalent Ge atoms. All Pd–Ge bond lengths are 2.63 Å. Ge is bonded in a 8-coordinate geometry to ten Li and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗