Materials Data on ScAgGe by Materials Project

Abstract

ScAgGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to six equivalent Ag and five Ge atoms. There are two shorter (3.06 Å) and four longer (3.25 Å) Sc–Ag bond lengths. There are one shorter (2.90 Å) and four longer (2.91 Å) Sc–Ge bond lengths. Ag is bonded in a 12-coordinate geometry to six equivalent Sc, two equivalent Ag, and four Ge atoms. Both Ag–Ag bond lengths are 3.05 Å. There are two shorter (2.64 Å) and two longer (2.69 Å) Ag–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Sc and six equivalent Ag atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Sc and three equivalent Ag atoms.