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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Li(LuGe)4 by Materials Project

Li(LuGe)4 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 3-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.65–3.09 Å. There are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.79–2.98 Å. In the second Lu site, Lu is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.91–3.30 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to one Li, six Lu, and one Ge atom. The Ge–Ge bond length is 2.56 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Li, six Lu, and one Ge atom. In the third Ge site, Ge is bonded in a 9-coordinate geometry to one Li, seven Lu, and one Ge atom. The Ge–Ge bond length is 2.66 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2(LuGe)3 by Materials Project

Li2(LuGe)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to four equivalent Lu and four Ge atoms to form a mixture of distorted edge, corner, and face-sharing LiLu4Ge4 tetrahedra. There are a spread of Li–Lu bond distances ranging from 3.16–3.30 Å. There are a spread of Li–Ge bond distances ranging from 2.52–2.68 Å. There are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to five Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.88–3.42 Å. In the second Lu site, Lu is bonded in a 4-coordinate geometry to four equivalent Li and six Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.97–3.09 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Li and seven Lu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li, five Lu, and one Ge atom. The Ge–Ge bond length is 2.55 Å.

36 MATERIALS SCIENCE↗