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DOE OSTI · 1309171

Materials Data on USe2 by Materials Project

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Abstract

USe2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are six shorter (2.85 Å) and three longer (3.12 Å) U–Se bond lengths. In the second U4+ site, U4+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are three shorter (2.89 Å) and six longer (3.10 Å) U–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to five U4+ atoms. In the second Se2- site, Se2- is bonded to four U4+ atoms to form a mixture of distorted corner and edge-sharing SeU4 tetrahedra.

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36 MATERIALS SCIENCEcrystal structureSe-UUSe2

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2017-05-10. Materials Data on USe2 by Materials Project. https://doi.org/10.17188/1309171

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