Materials Data on UNF5 by Materials Project

Abstract

UNF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded in a 5-coordinate geometry to six F1- atoms. There are a spread of U–F bond distances ranging from 2.00–2.49 Å. N1- is bonded in a 4-coordinate geometry to five F1- atoms. There are a spread of N–F bond distances ranging from 2.93–3.13 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one U6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one U6+ and two equivalent N1- atoms. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one U6+ and one N1- atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one U6+ and one N1- atom. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent U6+ and one N1- atom.