Materials Data on ReN2(OF4)2 by Materials Project

Abstract

ReF8(NO)2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight nitroxyl molecules and four ReF8 clusters. In each ReF8 cluster, Re4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Re–F bond distances ranging from 1.93–1.99 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Re4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Re4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Re4+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Re4+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Re4+ atom.