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DOE OSTI2020

Materials Data on YCuGe by Materials Project

YCuGe crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Y is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of distorted edge and face-sharing YCu6Ge6 cuboctahedra. There are a spread of Y–Cu bond distances ranging from 3.02–3.08 Å. There are a spread of Y–Ge bond distances ranging from 3.04–3.30 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Y 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 Y and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.52 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on YCuGe by Materials Project

YCuGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Y is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of face and edge-sharing YCu6Ge6 cuboctahedra. All Y–Cu bond lengths are 3.07 Å. All Y–Ge bond lengths are 3.07 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Y 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 Y and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗