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Materials Data on GdCuGe by Materials Project

GdCuGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Gd is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of distorted edge and face-sharing GdCu6Ge6 cuboctahedra. There are three shorter (3.02 Å) and three longer (3.18 Å) Gd–Cu bond lengths. There are three shorter (3.02 Å) and three longer (3.18 Å) Gd–Ge bond lengths. Cu is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.48 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗

Materials Data on Gd(CuGe)2 by Materials Project

GdCu2Ge2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Gd is bonded in a 4-coordinate geometry to eight equivalent Cu and eight equivalent Ge atoms. There are a spread of Gd–Cu bond distances ranging from 3.23–3.36 Å. There are four shorter (3.12 Å) and four longer (3.20 Å) Gd–Ge bond lengths. Cu is bonded in a 4-coordinate geometry to four equivalent Gd and four equivalent Ge atoms. There are three shorter (2.45 Å) and one longer (2.46 Å) Cu–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to four equivalent Gd, four equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.49 Å.

36 MATERIALS SCIENCE↗

Materials Data on Gd3(CuGe)4 by Materials Project

Gd3Cu4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (3.03 Å) and two longer (3.10 Å) Gd–Cu bond lengths. There are two shorter (3.03 Å) and four longer (3.10 Å) Gd–Ge bond lengths. In the second Gd site, Gd is bonded to six Ge atoms to form distorted edge-sharing GdGe6 octahedra. There are four shorter (2.97 Å) and two longer (3.05 Å) Gd–Ge bond lengths. Cu is bonded in a 12-coordinate geometry to three equivalent Gd, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.53 Å. There are a spread of Cu–Ge bond distances ranging from 2.52–2.64 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Gd, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three Gd and six equivalent Cu atoms.

36 MATERIALS SCIENCE↗