Materials Data on ScCuGe by Materials Project

Abstract

ScCuGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to five Cu and six equivalent Ge atoms. There are one shorter (2.72 Å) and four longer (2.81 Å) Sc–Cu bond lengths. There are two shorter (2.92 Å) and four longer (3.09 Å) Sc–Ge bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Sc and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.48 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Sc and six equivalent Ge atoms. All Cu–Ge bond lengths are 2.63 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Sc and four Cu atoms.