Materials Data on U3O8 by Materials Project

Abstract

U3O8 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. there are two inequivalent U+5.33+ sites. In the first U+5.33+ site, U+5.33+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All U–O bond lengths are 2.17 Å. In the second U+5.33+ site, U+5.33+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.09 Å) and six longer (2.30 Å) U–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three U+5.33+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent U+5.33+ atoms.