Materials Data on Ag3Cl by Materials Project

Abstract

Ag3Cl crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to eight equivalent Ag and four equivalent Cl atoms. There are a spread of Ag–Ag bond distances ranging from 2.91–3.36 Å. There are two shorter (3.08 Å) and two longer (3.14 Å) Ag–Cl bond lengths. In the second Ag site, Ag is bonded in a 12-coordinate geometry to eight equivalent Ag and four equivalent Cl atoms. There are a spread of Ag–Ag bond distances ranging from 2.91–3.36 Å. There are two shorter (3.08 Å) and two longer (3.14 Å) Ag–Cl bond lengths. Cl is bonded to twelve Ag atoms to form a mixture of distorted face and corner-sharing ClAg12 cuboctahedra.