Materials Data on U3O11 by Materials Project

Abstract

U3O11 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share a cornercorner with one UO7 pentagonal bipyramid, corners with two equivalent UO6 square pyramids, edges with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one UO6 square pyramid. There are a spread of U–O bond distances ranging from 1.80–2.48 Å. In the second U site, U is bonded to six O atoms to form a mixture of distorted corner and edge-sharing UO6 square pyramids. There are a spread of U–O bond distances ranging from 1.87–2.93 Å. There are six inequivalent O sites. In the first O site, O is bonded in a linear geometry to one U and one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a 3-coordinate geometry to three U atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent U atoms. In the fourth O site, O is bonded in a single-bond geometry to one U atom. In the fifth O site, O is bonded in a single-bond geometry to one U atom. In the sixth O site, O is bonded in a single-bond geometry to one U atom.