DOI > 10.5291/ILL-DATA.5-23-759

This proposal is publicly available since 06/06/2026

Title

Li-Fe-M-O (M = Sb, Te) oxides as Li-ion cathode materials

Abstract

We propose to collect high-resolution neutron powder diffraction data from three novel Fe-based Li-ion cathode materials, Li2FeSbO5, LiFe2SbO6 and Li3Fe3Te2O12, to determine their crystal structures, with a particular emphasis on locating the exact position of the lithium ions (information not available in X-ray diffraction data). In addition, by reaction with NO2BF4, these samples can be delithiated to form materials of composition LixFeSbO5, LixFe2SbO6 and LixFe3Te2O12, and we propose to also collect NPD data from these materials to better understand the structural consequences of the battery charging process in parallel with electrochemical cycling data.

Experimental Report

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Data Citation

The recommended format for citing this dataset in a research publication is in the following format:

Michael A Hayward; MARTINEZ DE IRUJO LABALDE Xabier and SUARD Emmanuelle. (2021). Li-Fe-M-O (M = Sb, Te) oxides as Li-ion cathode materials. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-23-759

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Metadata

Experiment Parameters

  • Environment temperature

    5 - 300K
  • Experiment energy

    1.59 A

Sample Parameters

  • Formula

    • Li2FeSbO5
    • LiFe2SbO6
    • FeSbO5
    • FeSb2O6
    • Fe3Te2O12
    • Li3Fe3Te2O12