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DOE OSTI2020

Materials Data on Lu4Ge6Os7 by Materials Project

Lu4Os7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Lu is bonded to six equivalent Os and six equivalent Ge atoms to form LuGe6Os6 cuboctahedra that share corners with twelve equivalent LuGe6Os6 cuboctahedra, faces with six equivalent LuGe6Os6 cuboctahedra, and faces with two equivalent OsGe6 octahedra. All Lu–Os bond lengths are 2.94 Å. All Lu–Ge bond lengths are 2.98 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded to six equivalent Ge atoms to form OsGe6 octahedra that share faces with eight equivalent LuGe6Os6 cuboctahedra. All Os–Ge bond lengths are 2.58 Å. In the second Os site, Os is bonded in a 12-coordinate geometry to four equivalent Lu and four equivalent Ge atoms. All Os–Ge bond lengths are 2.61 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Lu and five Os atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Lu3Ge13Os4 by Materials Project

Lu3Os4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to four equivalent Os and twelve equivalent Ge atoms. All Lu–Os bond lengths are 3.19 Å. There are eight shorter (3.16 Å) and four longer (3.23 Å) Lu–Ge bond lengths. Os is bonded in a 6-coordinate geometry to three equivalent Lu and six equivalent Ge atoms. All Os–Ge bond lengths are 2.49 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 Os, and one Ge atom. The Ge–Ge bond length is 3.03 Å. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗