Materials Data on Ta6Br12ClO15 by Materials Project

Abstract

(TaO)6(O2)3ClO3(Br)12 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of twenty-four hydrobromic acid molecules, six hydrogen peroxide molecules, twelve oxotantalum molecules, and two ClO3 clusters. In each ClO3 cluster, there are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one O2- and one Cl1- atom. The O–O bond length is 1.31 Å. The O–Cl bond length is 2.47 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one O2- atom. The O–O bond length is 1.33 Å. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two O2- atoms. Cl1- is bonded in a distorted single-bond geometry to one O2- atom.