Materials Data on U5O11 by Materials Project

Abstract

U5O11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent U+4.40+ sites. In the first U+4.40+ site, U+4.40+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.72 Å. In the second U+4.40+ site, U+4.40+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.54 Å. In the third U+4.40+ site, U+4.40+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.20–2.51 Å. In the fourth U+4.40+ site, U+4.40+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.54 Å. In the fifth U+4.40+ site, U+4.40+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.72 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four U+4.40+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four U+4.40+ atoms. In the third O2- site, O2- is bonded to four U+4.40+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra. In the fourth O2- site, O2- is bonded to four U+4.40+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to four U+4.40+ atoms. In the sixth O2- site, O2- is bonded to four U+4.40+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra. In the seventh O2- site, O2- is bonded to four U+4.40+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to four U+4.40+ atoms. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to four U+4.40+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to four U+4.40+ atoms. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to four U+4.40+ atoms.