Materials Data on ReI3 by Materials Project
ReI3 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of one ReI3 ribbon oriented in the (0, 1, 0) direction. there are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a see-saw-like geometry to four I1- atoms. There are a spread of Re–I bond distances ranging from 2.60–2.77 Å. In the second Re3+ site, Re3+ is bonded to five I1- atoms to form a mixture of distorted edge and corner-sharing ReI5 square pyramids. There are a spread of Re–I bond distances ranging from 2.65–3.01 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Re3+ atom. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent Re3+ atoms. In the third I1- site, I1- is bonded in a single-bond geometry to one Re3+ atom. In the fourth I1- site, I1- is bonded in a 12-coordinate geometry to two Re3+ atoms. In the fifth I1- site, I1- is bonded in a single-bond geometry to one Re3+ atom. In the sixth I1- site, I1- is bonded in a 11-coordinate geometry to two equivalent Re3+ atoms.