Materials Data on AuCl2 by Materials Project

Abstract

AuCl2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one AuCl2 ribbon oriented in the (-1, 0, 1) direction. there are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.31–3.15 Å. In the second Au2+ site, Au2+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.31–2.39 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two Au2+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two Au2+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Au2+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to two Au2+ atoms.