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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sm(FeGe)2 by Materials Project

SmFe2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight equivalent Fe and eight equivalent Ge atoms. All Sm–Fe bond lengths are 3.35 Å. All Sm–Ge bond lengths are 3.11 Å. Fe is bonded to four equivalent Sm and four equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing FeSm4Ge4 tetrahedra. All Fe–Ge bond lengths are 2.44 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sm, four equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.58 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmFeGe2 by Materials Project

SmFeGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to four equivalent Fe and ten Ge atoms. All Sm–Fe bond lengths are 3.29 Å. There are a spread of Sm–Ge bond distances ranging from 3.16–3.28 Å. Fe is bonded in a 5-coordinate geometry to four equivalent Sm and five Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.30–2.40 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Sm, one Fe, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.61 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Sm and four equivalent Fe atoms.

36 MATERIALS SCIENCE↗