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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ScGeRu by Materials Project

ScRuGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to six equivalent Ru and five Ge atoms. There are two shorter (2.98 Å) and four longer (3.01 Å) Sc–Ru bond lengths. There are four shorter (2.76 Å) and one longer (2.81 Å) Sc–Ge bond lengths. Ru is bonded in a 10-coordinate geometry to six equivalent Sc and four Ge atoms. There are two shorter (2.49 Å) and two longer (2.66 Å) Ru–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 Sc and three equivalent Ru atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Sc and six equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc4Ge6Ru7 by Materials Project

Sc4Ru7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sc is bonded to six equivalent Ru and six equivalent Ge atoms to form ScGe6Ru6 cuboctahedra that share corners with twelve equivalent ScGe6Ru6 cuboctahedra, faces with six equivalent ScGe6Ru6 cuboctahedra, and faces with two equivalent RuGe6 octahedra. All Sc–Ru bond lengths are 2.89 Å. All Sc–Ge bond lengths are 2.93 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 ScGe6Ru6 cuboctahedra. All Ru–Ge bond lengths are 2.52 Å. In the second Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Sc and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.57 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sc and five Ru atoms.

36 MATERIALS SCIENCE↗