Materials Data on U(NO7)2 by Materials Project

Abstract

UNO7NO3(O2)2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of eight molecular oxygen molecules, four nitric acid molecules, and four UNO7 clusters. In each UNO7 cluster, U is bonded in a distorted rectangular see-saw-like geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.83–2.45 Å. 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 five 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 distorted single-bond geometry to one U and one N atom. In the fourth O site, O is bonded in a single-bond geometry to one N atom. In the fifth O site, O is bonded in a single-bond geometry to one U atom.