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DOE OSTI · 1301247

Materials Data on Li2UO4 by Materials Project

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Abstract

Li2UO4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li1+ is bonded in a distorted single-bond geometry to five O2- atoms. There are one shorter (1.87 Å) and four longer (2.66 Å) Li–O bond lengths. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.92 Å) and four longer (2.18 Å) U–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Li1+ and two equivalent U6+ atoms to form a mixture of distorted face, edge, and corner-sharing OLi4U2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a linear geometry to one Li1+ and one U6+ atom.

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36 MATERIALS SCIENCEcrystal structureLi-O-ULi2UO4

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2020-07-16. Materials Data on Li2UO4 by Materials Project. https://doi.org/10.17188/1301247

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