Materials Data on Ag3Ge by Materials Project

Abstract

Ag3Ge crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Ag sites. In the first Ag site, Ag is bonded to twelve Ag atoms to form AgAg12 cuboctahedra that share corners with six equivalent AgAg12 cuboctahedra, corners with twelve equivalent GeAg6Ge6 cuboctahedra, edges with eighteen AgAg12 cuboctahedra, faces with two equivalent GeAg6Ge6 cuboctahedra, and faces with eighteen AgAg12 cuboctahedra. There are six shorter (2.94 Å) and six longer (2.99 Å) Ag–Ag bond lengths. In the second Ag site, Ag is bonded to nine Ag and three equivalent Ge atoms to form AgAg9Ge3 cuboctahedra that share corners with eighteen equivalent AgAg9Ge3 cuboctahedra, edges with six equivalent GeAg6Ge6 cuboctahedra, edges with twelve AgAg12 cuboctahedra, faces with six equivalent GeAg6Ge6 cuboctahedra, and faces with fourteen AgAg12 cuboctahedra. All Ag–Ag bond lengths are 2.99 Å. All Ag–Ge bond lengths are 2.92 Å. Ge is bonded to six equivalent Ag and six equivalent Ge atoms to form GeAg6Ge6 cuboctahedra that share corners with six equivalent GeAg6Ge6 cuboctahedra, corners with twelve equivalent AgAg12 cuboctahedra, edges with six equivalent GeAg6Ge6 cuboctahedra, edges with twelve equivalent AgAg9Ge3 cuboctahedra, faces with six equivalent GeAg6Ge6 cuboctahedra, and faces with fourteen AgAg12 cuboctahedra. All Ge–Ge bond lengths are 2.99 Å.