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Materials Data on Dy3(CuGe)4 by Materials Project

Dy3(CuGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (2.99 Å) and two longer (3.07 Å) Dy–Cu bond lengths. There are two shorter (2.99 Å) and four longer (3.05 Å) Dy–Ge bond lengths. In the second Dy site, Dy is bonded to six Ge atoms to form distorted edge-sharing DyGe6 octahedra. There are four shorter (2.93 Å) and two longer (3.01 Å) Dy–Ge bond lengths. Cu is bonded in a 12-coordinate geometry to three equivalent Dy, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.52 Å. There are a spread of Cu–Ge bond distances ranging from 2.48–2.60 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Dy and six equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Dy, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.55 Å.

36 MATERIALS SCIENCE↗

Materials Data on Dy(CuGe)2 by Materials Project

DyCu2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent Ge atoms. All Dy–Cu bond lengths are 3.28 Å. All Dy–Ge bond lengths are 3.12 Å. Cu is bonded to four equivalent Dy and four equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing CuDy4Ge4 tetrahedra. All Cu–Ge bond lengths are 2.44 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Dy, four equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.46 Å.

36 MATERIALS SCIENCE↗

Materials Data on Dy2CuGe6 by Materials Project

Dy2CuGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 10-coordinate geometry to ten Ge atoms. There are eight shorter (2.99 Å) and two longer (3.13 Å) Dy–Ge bond lengths. In the second Dy site, Dy is bonded in a 8-coordinate geometry to four equivalent Cu and ten Ge atoms. All Dy–Cu bond lengths are 3.10 Å. There are a spread of Dy–Ge bond distances ranging from 3.10–3.38 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Dy and five Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.32–2.42 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Dy, two equivalent Cu, and five Ge atoms. There are one shorter (2.49 Å) and four longer (2.87 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Dy and five Ge atoms. All Ge–Ge bond lengths are 2.88 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six Dy and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.55 Å. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to six Dy, one Cu, and two equivalent Ge atoms. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Dy and five Ge atoms. The Ge–Ge bond length is 2.51 Å. In the sixth Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Dy, two equivalent Cu, and five Ge atoms.

36 MATERIALS SCIENCE↗

Materials Data on DyCuGe by Materials Project

DyCuGe crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Dy is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of distorted edge and face-sharing DyCu6Ge6 cuboctahedra. There are a spread of Dy–Cu bond distances ranging from 3.02–3.08 Å. There are a spread of Dy–Ge bond distances ranging from 3.03–3.31 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Cu atoms. All Cu–Cu bond lengths are 2.49 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Ge atoms. There are two shorter (2.52 Å) and one longer (2.55 Å) Ge–Ge bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on DyCuGe by Materials Project

DyCuGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Dy is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of edge and face-sharing DyCu6Ge6 cuboctahedra. All Dy–Cu bond lengths are 3.07 Å. All Dy–Ge bond lengths are 3.07 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.44 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗