Materials Data on UCO6 by Materials Project

Abstract

UO4CO2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of eight carbon dioxide molecules and four UO4 ribbons oriented in the (0, 1, 0) direction. In each UO4 ribbon, U is bonded to five O atoms to form distorted corner-sharing UO5 trigonal bipyramids. There are a spread of U–O bond distances ranging from 1.83–2.27 Å. There are four 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 single-bond geometry to one U atom. In the fourth O site, O is bonded in a distorted linear geometry to two equivalent U atoms.