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Materials Data on GdCu4Pd by Materials Project

GdPdCu4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to four equivalent Pd and twelve equivalent Cu atoms. All Gd–Pd bond lengths are 3.08 Å. All Gd–Cu bond lengths are 2.95 Å. Pd is bonded in a 4-coordinate geometry to four equivalent Gd and twelve equivalent Cu atoms. All Pd–Cu bond lengths are 2.95 Å. Cu is bonded to three equivalent Gd, three equivalent Pd, and six equivalent Cu atoms to form a mixture of edge, face, and corner-sharing CuGd3Cu6Pd3 cuboctahedra. There are three shorter (2.49 Å) and three longer (2.54 Å) Cu–Cu bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on GdCu4Pd by Materials Project

GdPdCu4 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Gd is bonded in a 3-coordinate geometry to three equivalent Pd and thirteen Cu atoms. All Gd–Pd bond lengths are 2.95 Å. There are a spread of Gd–Cu bond distances ranging from 2.99–3.18 Å. Pd is bonded to three equivalent Gd and nine Cu atoms to form a mixture of edge and corner-sharing PdGd3Cu9 cuboctahedra. There are a spread of Pd–Cu bond distances ranging from 2.56–2.95 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Gd, two equivalent Pd, and seven Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.50–3.08 Å. In the second Cu site, Cu is bonded in a 7-coordinate geometry to four equivalent Gd, three equivalent Pd, and nine equivalent Cu atoms.

36 MATERIALS SCIENCE↗