Materials Data on U6O11 by Materials Project

Abstract

U6O11 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent U+3.67+ sites. In the first U+3.67+ site, U+3.67+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.32–2.45 Å. In the second U+3.67+ site, U+3.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.31–2.36 Å. In the third U+3.67+ site, U+3.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are two shorter (2.32 Å) and five longer (2.33 Å) U–O bond lengths. In the fourth U+3.67+ site, U+3.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.31–2.37 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to four U+3.67+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the second O2- site, O2- is bonded to four U+3.67+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the third O2- site, O2- is bonded to four U+3.67+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the fourth O2- site, O2- is bonded to four U+3.67+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the fifth O2- site, O2- is bonded to four U+3.67+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the sixth O2- site, O2- is bonded to four U+3.67+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the seventh O2- site, O2- is bonded to four U+3.67+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra.