Materials Data on AuCl5O18 by Materials Project

Abstract

Au(O7Cl2)2O2ClO2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four hypochlorous acid;hydrate molecules, eight water molecules, and four Au(O7Cl2)2 clusters. In each Au(O7Cl2)2 cluster, Au is bonded in a square co-planar geometry to four O atoms. There are two shorter (2.03 Å) and two longer (2.07 Å) Au–O bond lengths. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.44 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.43 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.46 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Au and one Cl atom. The O–Cl bond length is 1.63 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Au and one Cl atom. The O–Cl bond length is 1.62 Å. In the sixth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.46 Å. In the seventh O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.44 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a tetrahedral geometry to four O atoms. In the second Cl site, Cl is bonded in a trigonal non-coplanar geometry to three O atoms.