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DOE OSTI · 1182421

Materials Data on U2Se3 by Materials Project

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Abstract

U2Se3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded to seven Se2- atoms to form a mixture of distorted corner and edge-sharing USe7 pentagonal bipyramids. There are a spread of U–Se bond distances ranging from 2.88–2.92 Å. In the second U3+ site, U3+ is bonded in a 7-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.95–3.46 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five U3+ atoms to form a mixture of distorted corner and edge-sharing SeU5 trigonal bipyramids. In the second Se2- site, Se2- is bonded to five U3+ atoms to form a mixture of distorted corner and edge-sharing SeU5 square pyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to five U3+ atoms.

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36 MATERIALS SCIENCEcrystal structureSe-UU2Se3

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2020-07-15. Materials Data on U2Se3 by Materials Project. https://doi.org/10.17188/1182421

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