Materials Data on U2O5F8 by Materials Project

Abstract

(UOF4)4(O2)3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four trioxidane molecules and two UOF4 ribbons oriented in the (0, 0, 1) direction. In each UOF4 ribbon, there are two inequivalent U sites. In the first U site, U is bonded in a 5-coordinate geometry to two equivalent O and three F atoms. Both U–O bond lengths are 1.79 Å. There are a spread of U–F bond distances ranging from 2.08–2.35 Å. In the second U site, U is bonded in a distorted pentagonal bipyramidal geometry to seven F atoms. There are a spread of U–F bond distances ranging from 2.01–2.31 Å. O is bonded in a single-bond geometry to one U atom. There are six inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to two U atoms. In the second F site, F is bonded in a bent 150 degrees geometry to two U atoms. In the third F site, F is bonded in a single-bond geometry to one U atom. In the fourth F site, F is bonded in a single-bond geometry to one U atom. In the fifth F site, F is bonded in a single-bond geometry to one U atom. In the sixth F site, F is bonded in a single-bond geometry to one U atom.