Materials Data on USO6 by Materials Project

Abstract

UO2SO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U6+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.05–2.54 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.46 Å) and two longer (1.51 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent U6+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one S6+ atom.