Materials Data on Ag3Sb by Materials Project

Abstract

Ag3Sb crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 12-coordinate geometry to eight Ag1+ and four equivalent Sb3- atoms. There are a spread of Ag–Ag bond distances ranging from 2.96–3.26 Å. All Ag–Sb bond lengths are 3.04 Å. In the second Ag1+ site, Ag1+ is bonded in a 12-coordinate geometry to ten Ag1+ and two equivalent Sb3- atoms. There are four shorter (3.01 Å) and two longer (3.26 Å) Ag–Ag bond lengths. Both Ag–Sb bond lengths are 3.00 Å. In the third Ag1+ site, Ag1+ is bonded in a 12-coordinate geometry to six Ag1+ and four equivalent Sb3- atoms. There are two shorter (3.03 Å) and two longer (3.08 Å) Ag–Sb bond lengths. Sb3- is bonded to ten Ag1+ and two equivalent Sb3- atoms to form a mixture of distorted face, edge, and corner-sharing SbAg10Sb2 cuboctahedra. Both Sb–Sb bond lengths are 3.26 Å.