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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Li2TlAg by Materials Project

Li2AgTl 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 Ag and four equivalent Tl atoms. All Li–Ag bond lengths are 2.87 Å. All Li–Tl bond lengths are 2.87 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Li atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2TlAg by Materials Project

Li2AgTl 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 Tl atoms to form distorted corner-sharing LiTl4 tetrahedra. All Li–Tl bond lengths are 2.91 Å. In the second Li site, Li is bonded to four equivalent Ag atoms to form distorted corner-sharing LiAg4 tetrahedra. All Li–Ag bond lengths are 2.91 Å. Ag is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Tl atoms. All Ag–Tl bond lengths are 2.91 Å. Tl is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiTlAg2 by Materials Project

LiAg2Tl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiAg2Tl ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Ag atoms. Both Li–Ag bond lengths are 2.62 Å. Ag is bonded in a linear geometry to one Li and one Tl atom. The Ag–Tl bond length is 2.89 Å. Tl is bonded in a linear geometry to two equivalent Ag atoms.

36 MATERIALS SCIENCE↗