ISIS Neutron and Muon Source Data Journal

Variable temperature study of the structure of the new bimetallic, mixed anion fast ion conductor, Li0.5Na0.5(BD4)0.83I0.17

Abstract: We propose 1 day of beam-time on GEM to probe changes in the crystal structure of the new fast Li+ conducting mixed-cation, mixed-anion phase, Li0.5Na0.5(BD4)0.83I0.17 as a function of temperature. Partial substitution of Li by Na and of BH4 by I stabilises the high pressure, rock salt structure of LiBH4 (HP-LiBH4) at room temperature and pressure. The scattering contrast for this composition by powder X-ray diffraction PXD is very low and so the aims of this experiment are to: (a) determine the precise positions and occupancies of the I- and (BD4)- anions and the Li+ cations, (b) establish the dynamic disorder of the (BD4)- anions, (c) resolve the thermal parameters of Li+ and elucidate the ionic conductivity mechanism.

Principal Investigator: Professor Duncan Gregory
Experimenter: Dr Arpita Jana
Experimenter: Mr Hallam Davis
Experimenter: Miss ELENI ANDREOU
Local Contact: Dr Ivan da Silva Gonzalez
Experimenter: Professor Edmund Cussen

DOI: 10.5286/ISIS.E.RB1820519

ISIS Experiment Number: RB1820519

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; (2019): Variable temperature study of the structure of the new bimetallic, mixed anion fast ion conductor, Li0.5Na0.5(BD4)0.83I0.17 , STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1820519

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