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DOE OSTI · 1281654

Materials Data on Na2UO4 by Materials Project

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Abstract

Na2UO4 is Pb (Zr_0.50 Ti_0.48) O_3-like structured and crystallizes in the orthorhombic Pccn space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.33–2.66 Å. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of U–O bond distances ranging from 1.94–2.21 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent U6+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Na1+ and one U6+ atom.

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36 MATERIALS SCIENCEcrystal structureNa-O-UNa2UO4

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2020-07-23. Materials Data on Na2UO4 by Materials Project. https://doi.org/10.17188/1281654

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