Materials Data on U3O7 by Materials Project

Abstract

U3O7 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent U+4.67+ sites. In the first U+4.67+ site, U+4.67+ is bonded in a distorted body-centered cubic geometry to ten O2- atoms. There are a spread of U–O bond distances ranging from 2.24–2.75 Å. In the second U+4.67+ site, U+4.67+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of U–O bond distances ranging from 2.30–2.58 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four U+4.67+ and two equivalent O2- atoms to form a mixture of edge, face, and corner-sharing OU4O2 tetrahedra. Both O–O bond lengths are 2.45 Å. In the second O2- site, O2- is bonded to four U+4.67+ and one O2- atom to form a mixture of distorted edge, face, and corner-sharing OU4O tetrahedra. The O–O bond length is 2.48 Å. In the third O2- site, O2- is bonded in a 4-coordinate geometry to six U+4.67+ and eight O2- atoms.