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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Y(FeGe)2 by Materials Project

YFe2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight equivalent Fe and eight equivalent Ge atoms. All Y–Fe bond lengths are 3.23 Å. All Y–Ge bond lengths are 3.10 Å. Fe is bonded to four equivalent Y and four equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing FeY4Ge4 tetrahedra. All Fe–Ge bond lengths are 2.35 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Y, four equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.61 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y(Fe2Ge)2 by Materials Project

YFe4Ge2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to twelve Fe and six equivalent Ge atoms. There are a spread of Y–Fe bond distances ranging from 3.05–3.40 Å. There are two shorter (2.95 Å) and four longer (2.97 Å) Y–Ge bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 1-coordinate geometry to three equivalent Y, four Fe, and four equivalent Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.64 Å. There are a spread of Fe–Ge bond distances ranging from 2.48–2.68 Å. In the second Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent Y, three equivalent Fe, and three equivalent Ge atoms. There are two shorter (2.41 Å) and one longer (2.42 Å) Fe–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to three equivalent Y and seven Fe atoms.

36 MATERIALS SCIENCE↗