Materials Data on ReNClF5 by Materials Project
ReNClF5 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two ReNClF5 ribbons oriented in the (1, 0, 1) direction. Re3+ is bonded in a distorted octahedral geometry to one N3+ and five F1- atoms. The Re–N bond length is 1.75 Å. There are a spread of Re–F bond distances ranging from 1.88–1.94 Å. N3+ is bonded in a linear geometry to one Re3+ and one Cl1- atom. The N–Cl bond length is 1.57 Å. Cl1- is bonded in a distorted linear geometry to one N3+ and one F1- atom. The Cl–F bond length is 2.64 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Re3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Re3+ and one Cl1- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Re3+ atom.