Materials Data on UPO5 by Materials Project

Abstract

UPO5 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. U5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 1.96–2.27 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two equivalent U5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U5+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to one U5+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one U5+ and one P5+ atom.