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Related Experiment Videos

Li(3+delta)V6O13: a short-range-ordered lithium insertion mechanism.

Jonas Höwing1, Torbjörn Gustafsson, John O Thomas

  • 1Department of Materials Chemistry, Angström Laboratory, Uppsala University, Box 538, SE-751 21, Sweden.

Acta Crystallographica. Section B, Structural Science
|July 20, 2004
PubMed
Summary

Researchers determined the crystal structures of lithium vanadium oxides, Li3V6O13 and Li(3+delta)V6O13. They found that extra lithium ions occupy sites coupled to disordered ions in the original structure.

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Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Crystallography

Background:

  • Lithium vanadium oxides are promising materials for energy storage applications.
  • Understanding their crystal structures is crucial for optimizing performance.
  • Previous studies indicated complex lithium ion behavior in these compounds.

Purpose of the Study:

  • To elucidate the crystal structures of Li3V6O13 and Li(3+delta)V6O13.
  • To investigate the site occupancy and ordering of lithium ions in these phases.
  • To propose a mechanism for lithium insertion and phase formation in the LixV6O13 system.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the atomic structures.
  • Analysis of Wyckoff positions and space group symmetry (C2/m) was performed.

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  • Comparison of structural parameters between Li3V6O13 and Li(3+delta)V6O13 was conducted.

    • Main Results:

    • Both Li3V6O13 and Li(3+delta)V6O13 crystallize in the C2/m space group with similar cell parameters.
    • Li3V6O13 contains disordered lithium ions at specific Wyckoff positions (4(i) and 2(b)).
    • The insertion of additional lithium ions in Li(3+delta)V6O13 (0 < delta < 1) leads to occupation of sites coupled to the disordered lithium positions.

    Conclusions:

    • The structure of Li3V6O13 features a disordered lithium ion within an ordered framework.
    • The extra lithium ions in Li(3+delta)V6O13 preferentially occupy sites linked to the disordered lithium positions.
    • A mechanism explaining lithium insertion and the formation of the Li6V6O13 end-phase is proposed, highlighting site-coupling effects.