ISIS Neutron and Muon Source Data Journal

Probing Fluoride Site Substitution and Ion Mobility in Li2(OH)1-xFxCl using muSR

Abstract: It has been proposed that fluoride substitution of the anti-perovskite Li2OHCl, a widely studied solid electrolyte material, can stabilise the desirable conductive cubic phase and therefore enhance Li-ion conductivity at room temperature. Our preliminary work in this area suggests that whilst fluoride substitution is able to stabilise the conductive cubic phase at room temperature, the presence of fluoride anions may actually hinder Li-ion transport rather than boosting it. Furthermore, our findings reveal that fluoride anions can distribute over multiple crystallographic sites within the structure, and a cubic to orthorhombic phase transition likely occurs within the F-substituted series. The aim of this study is to use muon spin relaxation spectroscopy to investigate the distribution of OH-/F- anions across the structure in Li2(OH)0.9F0.1Cl, determine the precise location of the F- anions and assess the ion hopping capabilities. Accurately determining the precise location of these anions will help us in establishing the feasibility of these materials to be used as future solid electrolyte systems.

Principal Investigator: Dr Karen Johnston
Experimenter: Mr Nathan Bentley
Local Contact: Dr Peter Baker
Experimenter: Mr George Rudman

DOI: 10.5286/ISIS.E.RB2610439

ISIS Experiment Number: RB2610439

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
Select the data format above to find out more about it.

Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr Karen Johnston et al; (2026): Probing Fluoride Site Substitution and Ion Mobility in Li2(OH)1-xFxCl using muSR, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2610439

Data is released under the CC-BY-4.0 license.