Materials Data on UO11 by Materials Project

Abstract

UO11 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one UO11 cluster. U is bonded in a 3-coordinate geometry to eight O atoms. There are a spread of U–O bond distances ranging from 1.80–2.88 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a 1-coordinate geometry to one U and one O atom. The O–O bond length is 1.25 Å. In the fourth O site, O is bonded in an L-shaped geometry to one U and one O atom. In the fifth O site, O is bonded in a distorted L-shaped geometry to one U and one O atom. The O–O bond length is 1.31 Å. In the sixth O site, O is bonded in a 2-coordinate geometry to one U and one O atom. In the seventh O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.24 Å. In the eighth O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.24 Å) and one longer (1.60 Å) O–O bond length. In the ninth O site, O is bonded in a distorted single-bond geometry to one U and one O atom. In the tenth O site, O is bonded in a bent 120 degrees geometry to one U and one O atom. In the eleventh O site, O is bonded in a single-bond geometry to one O atom.