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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LuGeRu by Materials Project

LuRuGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu is bonded in a 9-coordinate geometry to four equivalent Ru and five equivalent Ge atoms. There are a spread of Lu–Ru bond distances ranging from 2.94–3.00 Å. There are a spread of Lu–Ge bond distances ranging from 2.98–3.03 Å. Ru is bonded in a 10-coordinate geometry to four equivalent Lu and four equivalent Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.52–2.57 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Lu and four equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu4Ge6Ru7 by Materials Project

Lu4Ru7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Lu is bonded to six equivalent Ru and six equivalent Ge atoms to form LuGe6Ru6 cuboctahedra that share corners with twelve equivalent LuGe6Ru6 cuboctahedra, faces with six equivalent LuGe6Ru6 cuboctahedra, and faces with two equivalent RuGe6 octahedra. All Lu–Ru bond lengths are 2.94 Å. All Lu–Ge bond lengths are 2.99 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Ge atoms to form RuGe6 octahedra that share faces with eight equivalent LuGe6Ru6 cuboctahedra. All Ru–Ge bond lengths are 2.61 Å. In the second Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Lu and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.59 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Lu and five Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3Ge3Ru2 by Materials Project

Lu3Ru2Ge3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 10-coordinate geometry to four equivalent Ru and six Ge atoms. There are one shorter (3.07 Å) and three longer (3.11 Å) Lu–Ru bond lengths. There are a spread of Lu–Ge bond distances ranging from 2.96–3.10 Å. In the second Lu site, Lu is bonded in a 9-coordinate geometry to four equivalent Ru and five Ge atoms. All Lu–Ru bond lengths are 3.19 Å. There are a spread of Lu–Ge bond distances ranging from 2.89–3.25 Å. Ru is bonded in a 10-coordinate geometry to six Lu and four Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.44–2.66 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to five Lu, three equivalent Ru, and one Ge atom. The Ge–Ge bond length is 2.66 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Lu and two equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3Ge13Ru4 by Materials Project

Lu3Ru4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to four equivalent Ru and twelve equivalent Ge atoms. All Lu–Ru bond lengths are 3.17 Å. There are eight shorter (3.13 Å) and four longer (3.20 Å) Lu–Ge bond lengths. Ru is bonded in a 6-coordinate geometry to three equivalent Lu and six equivalent Ge atoms. All Ru–Ge bond lengths are 2.48 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Lu, two equivalent Ru, and two Ge atoms. There are one shorter (2.67 Å) and one longer (3.08 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗