Materials Data on UN2O11 by Materials Project

Abstract

UN2O9O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four oxygen molecules and four UN2O9 clusters. In each UN2O9 cluster, U is bonded in a 3-coordinate geometry to five O atoms. There are a spread of U–O bond distances ranging from 1.82–2.51 Å. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.31 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.22 Å) and two longer (1.29 Å) N–O bond length. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one N atom. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a single-bond geometry to one N atom. 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. In the seventh O site, O is bonded in a distorted single-bond geometry to one N atom. In the eighth O site, O is bonded in a distorted water-like geometry to one U and one N atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one U and one N atom.