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

329 Scopus citations

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

Access to Document

10.1016/0022-4596(84)90228-7

Cite this

@article{ef6b58bf8963454482bd00b939e1d545,

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.",

author = "Cava, {R. J.} and Murphy, {D. W.} and S. Zahurak and A. Santoro and Roth, {R. S.}",

year = "1984",

month = jun,

doi = "10.1016/0022-4596(84)90228-7",

language = "English (US)",

volume = "53",

pages = "64--75",

journal = "Journal of Solid State Chemistry",

issn = "0022-4596",

publisher = "Academic Press Inc.",

number = "1",

}

TY - JOUR

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.

UR - http://www.scopus.com/inward/record.url?scp=0021444311&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0021444311&partnerID=8YFLogxK

U2 - 10.1016/0022-4596(84)90228-7

DO - 10.1016/0022-4596(84)90228-7

M3 - Article

AN - SCOPUS:0021444311

SN - 0022-4596

VL - 53

SP - 64

EP - 75

JO - Journal of Solid State Chemistry

JF - Journal of Solid State Chemistry

IS - 1

ER -

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

Abstract

All Science Journal Classification (ASJC) codes

Access to Document

Other files and links

Fingerprint

Cite this