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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Li2BiAu by Materials Project

Li2AuBi 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 Bi atoms to form distorted corner-sharing LiBi4 tetrahedra. All Li–Bi bond lengths are 2.95 Å. In the second Li site, Li is bonded to four equivalent Au atoms to form distorted corner-sharing LiAu4 tetrahedra. All Li–Au bond lengths are 2.95 Å. Au is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Bi atoms. All Au–Bi bond lengths are 2.95 Å. Bi is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2BiAu by Materials Project

Li2AuBi crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to two equivalent Au and four equivalent Bi atoms. Both Li–Au bond lengths are 3.01 Å. There are a spread of Li–Bi bond distances ranging from 2.88–3.24 Å. Au is bonded in a 12-coordinate geometry to four equivalent Li and two equivalent Bi atoms. Both Au–Bi bond lengths are 2.83 Å. Bi is bonded in a 10-coordinate geometry to eight equivalent Li and two equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2BiAu by Materials Project

Li2AuBi 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 Au and four equivalent Bi atoms. All Li–Au bond lengths are 2.89 Å. All Li–Bi bond lengths are 2.89 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Li atoms. Bi is bonded in a body-centered cubic geometry to eight equivalent Li atoms.

36 MATERIALS SCIENCE↗