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DOE OSTI · 1201916

Materials Data on USeO5 by Materials Project

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Abstract

UO2SeO3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one UO2SeO3 sheet oriented in the (0, 0, 1) direction. U6+ is bonded in a distorted linear geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 1.80–2.51 Å. Se4+ is bonded in a distorted T-shaped geometry to three O2- atoms. All Se–O bond lengths are 1.74 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Se4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one Se4+ atom.

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36 MATERIALS SCIENCEcrystal structureO-Se-UUSeO5

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2020-07-14. Materials Data on USeO5 by Materials Project. https://doi.org/10.17188/1201916

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