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DOE OSTI2020

Materials Data on GdCu4Au by Materials Project

GdAuCu4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Gd is bonded in a 4-coordinate geometry to four equivalent Au and twelve equivalent Cu atoms. All Gd–Au bond lengths are 3.09 Å. All Gd–Cu bond lengths are 2.96 Å. Au is bonded in a 4-coordinate geometry to four equivalent Gd and twelve equivalent Cu atoms. All Au–Cu bond lengths are 2.96 Å. Cu is bonded to three equivalent Gd, three equivalent Au, and six equivalent Cu atoms to form a mixture of edge, face, and corner-sharing CuGd3Cu6Au3 cuboctahedra. There are three shorter (2.51 Å) and three longer (2.54 Å) Cu–Cu bond lengths.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Gd2CuAu by Materials Project

Gd2AuCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Cu atoms. All Gd–Au bond lengths are 3.11 Å. All Gd–Cu bond lengths are 3.11 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Gd atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.

36 MATERIALS SCIENCE↗