DOI: 10.17188/1729547
title: Materials Data on Ag6SnSb by Materials Project

description: Ag6SnSb is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Ag sites. In the first Ag site, Ag is bonded to eight Ag, two equivalent Sn, and two equivalent Sb atoms to form AgAg8Sn2Sb2 cuboctahedra that share corners with four equivalent SbAg12 cuboctahedra, corners with fourteen AgAg8Sn2Sb2 cuboctahedra, edges with two equivalent SbAg12 cuboctahedra, edges with four equivalent SnAg12 cuboctahedra, edges with twelve AgAg8Sn2Sb2 cuboctahedra, faces with two equivalent SnAg12 cuboctahedra, faces with two equivalent SbAg12 cuboctahedra, and faces with sixteen AgAg8Sn2Sb2 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.96–3.09 Å. Both Ag–Sn bond lengths are 3.02 Å. There are one shorter (3.02 Å) and one longer (3.09 Å) Ag–Sb bond lengths. In the second Ag site, Ag is bonded to eight Ag, two equivalent Sn, and two equivalent Sb atoms to form AgAg8Sn2Sb2 cuboctahedra that share corners with four equivalent SnAg12 cuboctahedra, corners with fourteen AgAg8Sn2Sb2 cuboctahedra, edges with two equivalent SnAg12 cuboctahedra, edges with four equivalent SbAg12 cuboctahedra, edges with twelve AgAg8Sn2Sb2 cuboctahedra, faces with two equivalent SnAg12 cuboctahedra, faces with two equivalent SbAg12 cuboctahedra, and faces with sixteen AgAg8Sn2Sb2 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 3.00–3.12 Å. There are one shorter (3.01 Å) and one longer (3.08 Å) Ag–Sn bond lengths. Both Ag–Sb bond lengths are 3.03 Å. In the third Ag site, Ag is bonded to eight Ag, two equivalent Sn, and two equivalent Sb atoms to form AgAg8Sn2Sb2 cuboctahedra that share corners with eight equivalent SnAg12 cuboctahedra, corners with ten AgAg8Sn2Sb2 cuboctahedra, edges with eighteen AgAg8Sn2Sb2 cuboctahedra, faces with two equivalent SnAg12 cuboctahedra, faces with four equivalent SbAg12 cuboctahedra, and faces with fourteen AgAg8Sn2Sb2 cuboctahedra. Both Ag–Sn bond lengths are 3.07 Å. Both Ag–Sb bond lengths are 3.02 Å. In the fourth Ag site, Ag is bonded to eight Ag, two equivalent Sn, and two equivalent Sb atoms to form AgAg8Sn2Sb2 cuboctahedra that share corners with eight equivalent SbAg12 cuboctahedra, corners with ten AgAg8Sn2Sb2 cuboctahedra, edges with eighteen AgAg8Sn2Sb2 cuboctahedra, faces with two equivalent SbAg12 cuboctahedra, faces with four equivalent SnAg12 cuboctahedra, and faces with fourteen AgAg8Sn2Sb2 cuboctahedra. Both Ag–Sn bond lengths are 3.01 Å. Both Ag–Sb bond lengths are 3.07 Å. Sn is bonded to twelve Ag atoms to form SnAg12 cuboctahedra that share corners with two equivalent SnAg12 cuboctahedra, corners with sixteen AgAg8Sn2Sb2 cuboctahedra, edges with two equivalent SnAg12 cuboctahedra, edges with four equivalent SbAg12 cuboctahedra, edges with twelve AgAg8Sn2Sb2 cuboctahedra, faces with two equivalent SnAg12 cuboctahedra, faces with four equivalent SbAg12 cuboctahedra, and faces with fourteen AgAg8Sn2Sb2 cuboctahedra. Sb is bonded to twelve Ag atoms to form SbAg12 cuboctahedra that share corners with two equivalent SbAg12 cuboctahedra, corners with sixteen AgAg8Sn2Sb2 cuboctahedra, edges with two equivalent SbAg12 cuboctahedra, edges with four equivalent SnAg12 cuboctahedra, edges with twelve AgAg8Sn2Sb2 cuboctahedra, faces with two equivalent SbAg12 cuboctahedra, faces with four equivalent SnAg12 cuboctahedra, and faces with fourteen AgAg8Sn2Sb2 cuboctahedra.