Materials Data on Re(TeCl6)2 by Materials Project

Abstract

ReCl6(TeCl3)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two TeCl3 clusters and one ReCl6 ribbon oriented in the (0, 1, 0) direction. In each TeCl3 cluster, Te4+ is bonded in a 1-coordinate geometry to three Cl1- atoms. There are a spread of Te–Cl bond distances ranging from 2.03–2.89 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Te4+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Te4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the ReCl6 ribbon, Re4+ is bonded in a distorted square co-planar geometry to six Cl1- atoms. There are a spread of Re–Cl bond distances ranging from 2.17–3.04 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Re4+ and one Cl1- atom. The Cl–Cl bond length is 2.70 Å. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Re4+ and two Cl1- atoms. The Cl–Cl bond length is 2.69 Å. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Re4+ atom.