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DOE OSTI · 1276038

Materials Data on UCl5 by Materials Project

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Abstract

UCl5 is Copper structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two UCl5 clusters. U5+ is bonded to six Cl1- atoms to form edge-sharing UCl6 octahedra. There are a spread of U–Cl bond distances ranging from 2.47–2.73 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent U5+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom.

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36 MATERIALS SCIENCECl-Ucrystal structureUCl5

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2020-07-22. Materials Data on UCl5 by Materials Project. https://doi.org/10.17188/1276038

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