Materials Data on Ag3Bi by Materials Project

Ag3Bi is beta-derived structured and crystallizes in the orthorhombic Amm2 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 BiAg6Bi6 cuboctahedra, edges with eighteen AgAg12 cuboctahedra, faces with two equivalent BiAg6Bi6 cuboctahedra, and faces with eighteen AgAg12 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.88–3.26 Å. In the second Ag site, Ag is bonded to nine Ag and three equivalent Bi atoms to form AgAg9Bi3 cuboctahedra that share corners with eighteen equivalent AgAg9Bi3 cuboctahedra, edges with six equivalent BiAg6Bi6 cuboctahedra, edges with twelve AgAg12 cuboctahedra, faces with six equivalent BiAg6Bi6 cuboctahedra, and faces with fourteen AgAg12 cuboctahedra. There are two shorter (3.21 Å) and four longer (3.26 Å) Ag–Ag bond lengths. There are two shorter (3.22 Å) and one longer (3.23 Å) Ag–Bi bond lengths. Bi is bonded to six equivalent Ag and six equivalent Bi atoms to form BiAg6Bi6 cuboctahedra that share corners with six equivalent BiAg6Bi6 cuboctahedra, corners with twelve equivalent AgAg12 cuboctahedra, edges with six equivalent BiAg6Bi6 cuboctahedra, edges with twelve equivalent AgAg9Bi3 cuboctahedra, faces with six equivalent BiAg6Bi6 cuboctahedra, and faces with fourteen AgAg12 cuboctahedra. There are two shorter (3.21 Å) and four longer (3.26 Å) Bi–Bi bond lengths.