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DOE OSTI · 1759287

Materials Data on U3Se5 by Materials Project

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Abstract

U3Se5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent U+3.33+ sites. In the first U+3.33+ site, U+3.33+ is bonded in a 10-coordinate geometry to ten Se2- atoms. There are a spread of U–Se bond distances ranging from 2.91–3.30 Å. In the second U+3.33+ site, U+3.33+ is bonded in a 10-coordinate geometry to eight equivalent Se2- atoms. All U–Se bond lengths are 2.98 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four equivalent U+3.33+ atoms to form distorted edge-sharing SeU4 tetrahedra. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six U+3.33+ atoms.

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36 MATERIALS SCIENCEcrystal structureSe-UU3Se5

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2020-09-03. Materials Data on U3Se5 by Materials Project. https://doi.org/10.17188/1759287

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