Materials Data on ReTeSeCl4 by Materials Project

Abstract

ReTeSeCl4 crystallizes in the tetragonal I-4 space group. The structure is zero-dimensional and consists of two ReTeSeCl4 clusters. Re7+ is bonded in a 5-coordinate geometry to one Te1-, three equivalent Se2-, and two Cl1- atoms. The Re–Te bond length is 2.79 Å. There are a spread of Re–Se bond distances ranging from 2.45–2.47 Å. There are one shorter (2.49 Å) and one longer (2.50 Å) Re–Cl bond lengths. Te1- is bonded in a 2-coordinate geometry to one Re7+ and four Cl1- atoms. There are a spread of Te–Cl bond distances ranging from 2.38–2.85 Å. Se2- is bonded in a 10-coordinate geometry to three equivalent Re7+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Re7+ and one Te1- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Te1- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Te1- atom. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Re7+ and one Te1- atom.