Materials Data on Ag3Sn by Materials Project

Abstract

Ag3Sn is Magnesium-derived structured and 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 SnAg6Sn6 cuboctahedra, edges with eighteen AgAg12 cuboctahedra, faces with two equivalent SnAg6Sn6 cuboctahedra, and faces with eighteen AgAg12 cuboctahedra. There are six shorter (2.93 Å) and six longer (3.11 Å) Ag–Ag bond lengths. In the second Ag site, Ag is bonded to nine Ag and three equivalent Sn atoms to form AgAg9Sn3 cuboctahedra that share corners with eighteen equivalent AgAg9Sn3 cuboctahedra, edges with six equivalent SnAg6Sn6 cuboctahedra, edges with twelve AgAg12 cuboctahedra, faces with six equivalent SnAg6Sn6 cuboctahedra, and faces with fourteen AgAg12 cuboctahedra. All Ag–Ag bond lengths are 3.11 Å. All Ag–Sn bond lengths are 3.10 Å. Sn is bonded to six equivalent Ag and six equivalent Sn atoms to form SnAg6Sn6 cuboctahedra that share corners with six equivalent SnAg6Sn6 cuboctahedra, corners with twelve equivalent AgAg12 cuboctahedra, edges with six equivalent SnAg6Sn6 cuboctahedra, edges with twelve equivalent AgAg9Sn3 cuboctahedra, faces with six equivalent SnAg6Sn6 cuboctahedra, and faces with fourteen AgAg12 cuboctahedra. All Sn–Sn bond lengths are 3.11 Å.