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Superlattice formation in the lithiated vanadium oxide phases Li0.67V6O13 and LiV6O13

Björk, Helen ; Lidin, Sven LU ; Gustafsson, Torbjörn and Thomas, John O. (2001) In Acta Crystallographica. Section B: Structural Science 57(6). p.759-765
Abstract

Two new lithiated phases of V6O13 were formed by carefully tuning the temperature of electrochemical lithiation in a 'coffee-bag' type Li-ion battery at 2.78 V versus Li/Li+. These were studied by single-crystal X-ray diffraction. A phase with the composition Li2/3V6O13 was obtained at 308 K with a unit cell three times the volume of the original V6O13 cell. A single crystal discharged at ambient temperature was shown to be LiV6O13 and twice the unit-cell volume of the original V6O13 cell. On lithiation, the structures retain their basic V6O13 structure of alternating single and double... (More)

Two new lithiated phases of V6O13 were formed by carefully tuning the temperature of electrochemical lithiation in a 'coffee-bag' type Li-ion battery at 2.78 V versus Li/Li+. These were studied by single-crystal X-ray diffraction. A phase with the composition Li2/3V6O13 was obtained at 308 K with a unit cell three times the volume of the original V6O13 cell. A single crystal discharged at ambient temperature was shown to be LiV6O13 and twice the unit-cell volume of the original V6O13 cell. On lithiation, the structures retain their basic V6O13 structure of alternating single and double layers of VO6 octahedra. The lithium ions occupy chemically equivalent sites, where they coordinate fivefold to O atoms, and associate with the single layers of VO6 octahedra. The insertion of lithium causes a significant elongation of one of the V-O bonds in each structure, which expands from 1.65 to 1.89 Å; this is due to the charge reduction of a specific V atom.

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author
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publishing date
type
Contribution to journal
publication status
published
in
Acta Crystallographica. Section B: Structural Science
volume
57
issue
6
pages
7 pages
publisher
Wiley-Blackwell
external identifiers
  • scopus:18044400923
ISSN
0108-7681
DOI
10.1107/S0108768101014264
language
English
LU publication?
no
id
1a2e1d1c-0ee2-4a0b-bd3d-95f93b7f7ea0
date added to LUP
2019-04-08 15:39:56
date last changed
2022-04-02 07:51:33
@article{1a2e1d1c-0ee2-4a0b-bd3d-95f93b7f7ea0,
  abstract     = {{<p>Two new lithiated phases of V<sub>6</sub>O<sub>13</sub> were formed by carefully tuning the temperature of electrochemical lithiation in a 'coffee-bag' type Li-ion battery at 2.78 V versus Li/Li<sup>+</sup>. These were studied by single-crystal X-ray diffraction. A phase with the composition Li<sub>2/3</sub>V<sub>6</sub>O<sub>13</sub> was obtained at 308 K with a unit cell three times the volume of the original V<sub>6</sub>O<sub>13</sub> cell. A single crystal discharged at ambient temperature was shown to be LiV<sub>6</sub>O<sub>13</sub> and twice the unit-cell volume of the original V<sub>6</sub>O<sub>13</sub> cell. On lithiation, the structures retain their basic V<sub>6</sub>O<sub>13</sub> structure of alternating single and double layers of VO<sub>6</sub> octahedra. The lithium ions occupy chemically equivalent sites, where they coordinate fivefold to O atoms, and associate with the single layers of VO<sub>6</sub> octahedra. The insertion of lithium causes a significant elongation of one of the V-O bonds in each structure, which expands from 1.65 to 1.89 Å; this is due to the charge reduction of a specific V atom.</p>}},
  author       = {{Björk, Helen and Lidin, Sven and Gustafsson, Torbjörn and Thomas, John O.}},
  issn         = {{0108-7681}},
  language     = {{eng}},
  month        = {{12}},
  number       = {{6}},
  pages        = {{759--765}},
  publisher    = {{Wiley-Blackwell}},
  series       = {{Acta Crystallographica. Section B: Structural Science}},
  title        = {{Superlattice formation in the lithiated vanadium oxide phases Li<sub>0.67</sub>V<sub>6</sub>O<sub>13</sub> and LiV<sub>6</sub>O<sub>13</sub>}},
  url          = {{http://dx.doi.org/10.1107/S0108768101014264}},
  doi          = {{10.1107/S0108768101014264}},
  volume       = {{57}},
  year         = {{2001}},
}