The crystal structures of the lithium-inserted metal oxides Li0.5TiO2 anatase,LiTi2O4 spinel,and Li2Ti2O4 |
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Authors: | R.J. Cava D.W. Murphy S. Zahurak A. Santoro R.S. Roth |
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Affiliation: | Bell Laboratories, 600 Mountain Avenue, Murray Hill, New Jersey 07974 USA;National Bureau of Standards, Washington, D.C. 20234 USA |
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Abstract: | 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. |
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