Materials Data on U3O10 by Materials Project

Abstract

U3O10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to six O atoms to form a mixture of edge and corner-sharing UO6 octahedra. There are a spread of U–O bond distances ranging from 1.87–2.36 Å. In the second U site, U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent UO6 octahedra, an edgeedge with one UO6 octahedra, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 3–35°. There are a spread of U–O bond distances ranging from 1.82–2.52 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to two U atoms. In the second O site, O is bonded in a water-like geometry to two equivalent U atoms. In the third O site, O is bonded in a 3-coordinate geometry to three U atoms. In the fourth O site, O is bonded in a linear geometry to two U atoms. In the fifth O site, O is bonded in a single-bond geometry to one U atom.