Materials Data on Re4Cl8O9 by Materials Project

Abstract

Re2(OCl2)3(ReO3Cl)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one Re2(OCl2)3 cluster and two ReO3Cl clusters. In the Re2(OCl2)3 cluster, Re+6.50+ is bonded in a 2-coordinate geometry to two O2- and three Cl1- atoms. There is one shorter (1.69 Å) and one longer (1.87 Å) Re–O bond length. There are two shorter (2.31 Å) and one longer (2.32 Å) Re–Cl bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Re+6.50+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom. In each ReO3Cl cluster, Re+6.50+ is bonded in a tetrahedral geometry to three O2- and one Cl1- atom. There is two shorter (1.72 Å) and one longer (1.74 Å) Re–O bond length. The Re–Cl bond length is 2.22 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom.