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All sourcesNASA NTRSDOE OSTI
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↗
DOE OSTI2020

Materials Data on LiLuGe by Materials Project

LiLuGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Li is bonded to four Ge atoms to form a mixture of distorted edge and corner-sharing LiGe4 tetrahedra. There are two shorter (2.69 Å) and two longer (2.71 Å) Li–Ge bond lengths. Lu is bonded in a 5-coordinate geometry to five Ge atoms. There are one shorter (2.92 Å) and four longer (2.97 Å) Lu–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Li and three equivalent Lu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li and six equivalent Lu atoms.

36 MATERIALS SCIENCE↗
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↗