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

R. J. Cava; D. W. Murphy; S. Zahurak; A. Santoro; R. S. Roth

doi:10.1016/0022-4596(84)90228-7

The crystal structures of the lithium-inserted metal oxides Li_0.5TiO₂ anatase, LiTi₂O₄ spinel, and Li₂Ti₂O₄

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

Research output: Contribution to journal › Article › peer-review

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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 Li_0.5TiO₂ 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 Li_0.5TiO₂ 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 language	English (US)
Pages (from-to)	64-75
Number of pages	12
Journal	Journal of Solid State Chemistry
Volume	53
Issue number	1
DOIs	https://doi.org/10.1016/0022-4596(84)90228-7
State	Published - Jun 1984
Externally published	Yes

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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10.1016/0022-4596(84)90228-7

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

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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T1 - The crystal structures of the lithium-inserted metal oxides Li0.5TiO2 anatase, LiTi2O4 spinel, and Li2Ti2O4

AU - Cava, R. J.

AU - Murphy, D. W.

AU - Zahurak, S.

AU - Santoro, A.

AU - Roth, R. S.

PY - 1984/6

Y1 - 1984/6

N2 - 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.

AB - 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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The crystal structures of the lithium-inserted metal oxides Li_0.5TiO₂ anatase, LiTi₂O₄ spinel, and Li₂Ti₂O₄

Abstract

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