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DOE OSTI2020

Materials Data on NdCu4Ag by Materials Project

NdAgCu4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to four equivalent Ag and twelve equivalent Cu atoms. All Nd–Ag bond lengths are 3.14 Å. All Nd–Cu bond lengths are 3.01 Å. Ag is bonded in a 4-coordinate geometry to four equivalent Nd and twelve equivalent Cu atoms. All Ag–Cu bond lengths are 3.00 Å. Cu is bonded to three equivalent Nd, three equivalent Ag, and six equivalent Cu atoms to form a mixture of corner, edge, and face-sharing CuNd3Cu6Ag3 cuboctahedra. There are three shorter (2.52 Å) and three longer (2.61 Å) Cu–Cu bond lengths.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on NdCuAg by Materials Project

NdAgCu crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to six equivalent Ag and five equivalent Cu atoms. There are a spread of Nd–Ag bond distances ranging from 3.18–3.29 Å. There are a spread of Nd–Cu bond distances ranging from 3.07–3.20 Å. Ag is bonded in a 10-coordinate geometry to six equivalent Nd, one Ag, and three equivalent Cu atoms. The Ag–Ag bond length is 2.88 Å. There are two shorter (2.66 Å) and one longer (2.90 Å) Ag–Cu bond lengths. Cu is bonded in a 9-coordinate geometry to five equivalent Nd, three equivalent Ag, and one Cu atom. The Cu–Cu bond length is 2.48 Å.

36 MATERIALS SCIENCE↗