ISIS Neutron and Muon Source Data Journal

Structural Insights into Borohydride-Halide Li-Ion Conductors, LiM(BH4)X (X= Cl, Br, M = Ce, Pr)

Abstract: Solid state electrolytes are key components to replace volatile liquid electrolytes in lithium-based batteries to deal with the safety concern. We propose here variable temperature Powder Neutron Diffraction experiment of synthesised lithium ion conductors, LiCe(BH4)3X (X = Cl, Br) and LiPr(BH4)3Cl . We would extract precise crystal structure parameters such as positions, site occupancy factors for the 7Li, 11B and D (and lanthanide) atoms within the structure and accurate phase fractions of the compounds vs. the binary halide by-products (produced during synthesis). The proposed temperature-dependent PND data (from ambient -150 oC at 20 °C intervals) for the LiCe(BH4)3X (X = Cl, Br) and LiPr(BH4)3Cl will correlate the thermally-activated ion transport properties (as measured by electrochemical impedance spectroscopy) to their structure and intrinsic defects.

Principal Investigator: Professor Duncan Gregory
Local Contact: Dr Ronald Smith
Experimenter: Dr Sudeshna Sen
Experimenter: Mr Zhen Fan

DOI: 10.5286/ISIS.E.RB1920065

ISIS Experiment Number: RB1920065

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

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

For Example:
Professor Duncan Gregory et al; (2020): Structural Insights into Borohydride-Halide Li-Ion Conductors, LiM(BH4)X (X= Cl, Br, M = Ce, Pr), STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1920065

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