Materials Data on Re(TeCl2)2 by Materials Project

Abstract

Re(TeCl2)2 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Re7+ is bonded in a 6-coordinate geometry to four Te+1.50- and two Cl1- atoms. There are a spread of Re–Te bond distances ranging from 2.63–2.76 Å. There are one shorter (2.51 Å) and one longer (2.52 Å) Re–Cl bond lengths. There are two inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded in a 10-coordinate geometry to three equivalent Re7+ and seven Cl1- atoms. There are a spread of Te–Cl bond distances ranging from 3.38–3.82 Å. In the second Te+1.50- site, Te+1.50- is bonded in a 2-coordinate geometry to one Re7+ and five Cl1- atoms. There are a spread of Te–Cl bond distances ranging from 2.39–4.07 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Te+1.50- atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two Te+1.50- atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Re7+ and three Te+1.50- atoms. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Re7+ and four Te+1.50- atoms.