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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Nd(FeGe)2 by Materials Project

NdFe2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight equivalent Fe and eight equivalent Ge atoms. All Nd–Fe bond lengths are 3.36 Å. All Nd–Ge bond lengths are 3.14 Å. Fe is bonded to four equivalent Nd and four equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing FeNd4Ge4 tetrahedra. All Fe–Ge bond lengths are 2.45 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Nd, four equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.62 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdFeGe2 by Materials Project

NdFeGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to five equivalent Fe and ten Ge atoms. There are one shorter (3.36 Å) and four longer (3.37 Å) Nd–Fe bond lengths. There are a spread of Nd–Ge bond distances ranging from 3.20–3.30 Å. Fe is bonded in a 5-coordinate geometry to five equivalent Nd and five Ge atoms. There are one shorter (2.33 Å) and four longer (2.39 Å) Fe–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Nd, one Fe, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.66 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Nd and four equivalent Fe atoms.

36 MATERIALS SCIENCE↗