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DOE OSTI · 1705359

Materials Data on LiUBr4 by Materials Project

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Abstract

Li(UBr3)2Li2UBr6 is trigonal omega-derived structured and crystallizes in the trigonal P-31m space group. The structure is two-dimensional and consists of one Li(UBr3)2 sheet oriented in the (0, 0, 1) direction and one Li2UBr6 sheet oriented in the (0, 0, 1) direction. In the Li(UBr3)2 sheet, Li1+ is bonded to six equivalent Br1- atoms to form LiBr6 octahedra that share edges with six equivalent UBr6 octahedra. All Li–Br bond lengths are 2.83 Å. U3+ is bonded to six equivalent Br1- atoms to form UBr6 octahedra that share edges with three equivalent LiBr6 octahedra and edges with three equivalent UBr6 octahedra. All U–Br bond lengths are 2.95 Å. Br1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent U3+ atoms. In the Li2UBr6 sheet, Li1+ is bonded to six equivalent Br1- atoms to form LiBr6 octahedra that share edges with three equivalent LiBr6 octahedra and edges with three equivalent UBr6 octahedra. All Li–Br bond lengths are 2.87 Å. U3+ is bonded to six equivalent Br1- atoms to form UBr6 octahedra that share edges with six equivalent LiBr6 octahedra. All U–Br bond lengths are 2.87 Å. Br1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one U3+ atom.

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36 MATERIALS SCIENCEBr-Li-Ucrystal structureLiUBr4

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2020-05-02. Materials Data on LiUBr4 by Materials Project. https://doi.org/10.17188/1705359

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