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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sm(CuGe)2 by Materials Project

SmCu2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent Ge atoms. All Sm–Cu bond lengths are 3.30 Å. All Sm–Ge bond lengths are 3.16 Å. Cu is bonded to four equivalent Sm and four equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing CuSm4Ge4 tetrahedra. All Cu–Ge bond lengths are 2.45 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sm, four equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.50 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3(CuGe)4 by Materials Project

Sm3(CuGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to six Ge atoms to form distorted edge-sharing SmGe6 octahedra. There are four shorter (2.99 Å) and two longer (3.06 Å) Sm–Ge bond lengths. In the second Sm site, Sm is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (3.04 Å) and two longer (3.12 Å) Sm–Cu bond lengths. There are two shorter (3.06 Å) and four longer (3.12 Å) Sm–Ge bond lengths. Cu is bonded in a 10-coordinate geometry to three equivalent Sm, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.53 Å. There are a spread of Cu–Ge bond distances ranging from 2.53–2.66 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Sm and six equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Sm, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmCuGe by Materials Project

SmCuGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sm is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of face and edge-sharing SmCu6Ge6 cuboctahedra. All Sm–Cu bond lengths are 3.13 Å. All Sm–Ge bond lengths are 3.13 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.47 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗