Materials Data on Re3(TeBr)7 by Materials Project

Abstract

Re3(TeBr)7 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three Re3(TeBr)7 sheets oriented in the (0, 0, 1) direction. Re7+ is bonded to five Te2- atoms to form edge-sharing ReTe5 square pyramids. There are a spread of Re–Te bond distances ranging from 2.70–2.72 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to three equivalent Re7+ and four Br1- atoms. There are a spread of Te–Br bond distances ranging from 3.79–4.15 Å. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to one Re7+ and three Br1- atoms. There are a spread of Te–Br bond distances ranging from 2.56–3.34 Å. In the third Te2- site, Te2- is bonded in a 9-coordinate geometry to three equivalent Re7+ atoms. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to two Te2- atoms. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to two Te2- atoms. In the third Br1- site, Br1- is bonded in a 3-coordinate geometry to nine Te2- atoms.