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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sm(GeRu)2 by Materials Project

SmRu2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight equivalent Ru and eight equivalent Ge atoms. All Sm–Ru bond lengths are 3.30 Å. All Sm–Ge bond lengths are 3.31 Å. Ru is bonded in a 4-coordinate geometry to four equivalent Sm and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.45 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sm, four equivalent Ru, and one Ge atom. The Ge–Ge bond length is 2.64 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3(GeRu)2 by Materials Project

Sm3Ru2Ge2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 9-coordinate geometry to four equivalent Ru and five Ge atoms. There are a spread of Sm–Ru bond distances ranging from 2.87–3.15 Å. There are a spread of Sm–Ge bond distances ranging from 3.09–3.54 Å. In the second Sm site, Sm is bonded in a 9-coordinate geometry to four equivalent Ru and five Ge atoms. There are two shorter (3.04 Å) and two longer (3.25 Å) Sm–Ru bond lengths. There are a spread of Sm–Ge bond distances ranging from 3.06–3.41 Å. Ru is bonded in a 9-coordinate geometry to six Sm and three Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.56–2.60 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Sm and two equivalent Ru atoms. In the second Ge site, Ge is bonded to eight Sm and four equivalent Ru atoms to form a mixture of distorted corner, edge, and face-sharing GeSm8Ru4 cuboctahedra.

36 MATERIALS SCIENCE↗