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DOE OSTI · 1679692

Materials Data on UCO6 by Materials Project

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Abstract

UO4CO2 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight carbon dioxide molecules and four UO4 clusters. In each UO4 cluster, U is bonded to five O atoms to form distorted edge-sharing UO5 trigonal bipyramids. There are a spread of U–O bond distances ranging from 1.84–2.15 Å. There are four inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent U atoms. 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 single-bond geometry to one U atom.

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36 MATERIALS SCIENCEC-O-Ucrystal structureUCO6

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2020-04-29. Materials Data on UCO6 by Materials Project. https://doi.org/10.17188/1679692

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36 MATERIALS SCIENCE↗