The crystal structures of the lithium-inserted metal oxides Li0.5TiO2 anatase, LiTi2O4 spinel, and Li2Ti2O4

Robert Joseph Cava, D. W. Murphy, S. Zahurak, A. Santoro, R. S. Roth

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The crystal structures of three lithium titanates by neutron diffraction powder profile analysis were determined. The tetragonal anatase form of TiO2 becomes orthorhombic on ambient-temperature lithium insertion to Li0.5TiO2 due to the formation of TiTi bonds. The lithium partially occupies the highly distorted octahedral interstices in the anatase framework in fivefold-coordination with oxygen. Cubic LiTi2O4 formed by heating Li0.5TiO2 anatase has a normal spinel structure with Li in the tetrahedral sites. In Li2Ti2O4 formed by reacting LiTi2O4 spinel with n-BuLi at ambient temperature, the titanium remains in the spinel positions but the lithium is displaced, filling all the available octahedral sites.

Original languageEnglish (US)
Pages (from-to)64-75
Number of pages12
JournalJournal of Solid State Chemistry
Issue number1
StatePublished - Jan 1 1984
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry


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