DOI > 10.5291/ILL-DATA.5-23-769

This proposal is publicly available since 09/05/2026

Title

Solving the structure of new Ruddlesden-Popper Oxyfluorides with unique structural distortions by high resolution neutron powder diffraction

Abstract

Ruddlesden-Popper oxyfluorides are promising candidates for intercalation electrodes in fluoride ion batteries. Finding ways to synthesize new oxyfluorides containing high amounts of F¿ is therefore of high interest. By low-temperature topochemical fluorination with PVDF we synthesized several hitherto unknown oxyfluorides including the first n = 3 Ruddlesden-Popper oxyfluoride La4Co3O9F2. By neutron diffraction we plan to solve the structure of seven new Ruddlesden-Popper oxyfluorides as well as four hitherto unknown intermediates occurring during their formation. Understanding the structural relationships between these intermediates and final products (with the support of DFT calculations) can help to develop new fluoride battery materials.

Experimental Report

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Data Citation

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

Stefan G. Ebbinghaus; BIVOUR Andy; JACOBS Jonas and RITTER Clemens. (2021). Solving the structure of new Ruddlesden-Popper Oxyfluorides with unique structural distortions by high resolution neutron powder diffraction. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-23-769

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Metadata

Experiment Parameters

  • Environment temperature

    300K
  • Experiment energy

    1.594 A

Sample Parameters

  • Formula

    • La2CuO3F2
    • La2Ni0.3Cu0.7O2.5F3
    • La2CuO4:F70%
    • La4Co3O9F2
    • La4Ni3O9.5F
    • La4Ni3O8.5F3
    • La2Ni0.7Cu0.3O2.5F3
    • La2CuO3F1.5
    • La2CuO4:F20%
    • La2CuO4:F10%
    • La2CuO4:F30%