Materials Data on Ag3Sb by Materials Project

Abstract

Ag3Sb is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to twelve Ag1+ atoms to form AgAg12 cuboctahedra that share corners with six equivalent AgAg12 cuboctahedra, corners with twelve equivalent SbAg6Sb6 cuboctahedra, edges with eighteen AgAg12 cuboctahedra, faces with two equivalent SbAg6Sb6 cuboctahedra, and faces with eighteen AgAg12 cuboctahedra. There are six shorter (2.90 Å) and six longer (3.14 Å) Ag–Ag bond lengths. In the second Ag1+ site, Ag1+ is bonded to nine Ag1+ and three equivalent Sb3- atoms to form AgAg9Sb3 cuboctahedra that share corners with eighteen equivalent AgAg9Sb3 cuboctahedra, edges with six equivalent SbAg6Sb6 cuboctahedra, edges with twelve AgAg12 cuboctahedra, faces with six equivalent SbAg6Sb6 cuboctahedra, and faces with fourteen AgAg12 cuboctahedra. All Ag–Ag bond lengths are 3.14 Å. All Ag–Sb bond lengths are 3.12 Å. Sb3- is bonded to six equivalent Ag1+ and six equivalent Sb3- atoms to form SbAg6Sb6 cuboctahedra that share corners with six equivalent SbAg6Sb6 cuboctahedra, corners with twelve equivalent AgAg12 cuboctahedra, edges with six equivalent SbAg6Sb6 cuboctahedra, edges with twelve equivalent AgAg9Sb3 cuboctahedra, faces with six equivalent SbAg6Sb6 cuboctahedra, and faces with fourteen AgAg12 cuboctahedra. All Sb–Sb bond lengths are 3.14 Å.