Structural refinement of delithiated LiVO2 by neutron diffraction

M. M. Thackeray, L. A. de Picciotto, W. I F David, P. G. Bruce, J. B. Goodenough

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33 Citations (Scopus)


Lithium has been extracted from the layered compound LiVO2 by chemical oxidation with bromine. Previous X-ray data have shown that in Li1-xVO2 lithium extraction beyond x ˜ 0.33 is accompanied by migration of one-third of the vanadium ions into the lithium-deficient layer to stabilize the structure; little information about the location of the lithium ions could be gathered from this data. The neutron diffraction data presented in this paper show that at a composition Li0.22VO2, determined by atomic absorption spectroscopy, the residual lithium ions are distributed over the octahedral sites of the original lithium layer; the possibility that a small fraction of the lithium ions partially occupy the tetrahedral sites in this layer cannot be discounted. No significant occupation by lithium of the tetrahedral or octahedral vacancies in the vanadium-rich layer could be detected. © 1987.

Original languageEnglish
Pages (from-to)285-290
Number of pages6
JournalJournal of Solid State Chemistry
Issue number2
Publication statusPublished - Apr 1987


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