Materials Data on ReCl3 by Materials Project
ReCl3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three ReCl3 sheets oriented in the (0, 0, 1) direction. Re3+ is bonded to five Cl1- atoms to form a mixture of distorted edge and corner-sharing ReCl5 square pyramids. There are a spread of Re–Cl bond distances ranging from 2.26–2.69 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Re3+ atoms. In the second Cl1- site, Cl1- is bonded in a 12-coordinate geometry to two equivalent Re3+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Re3+ atom.
36 MATERIALS SCIENCE↗