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

DOI

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.

Identifier
DOI https://doi.org/10.5286/ISIS.E.RB1820519-1
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/101678012
Provenance
Creator Dr Arpita Jana; Mr Hallam Davis; Miss ELENI ANDREOU; Dr Ivan da Silva Gonzalez; Professor Duncan Gregory; Professor Eddie Cussen
Publisher ISIS Neutron and Muon Source
Publication Year 2022
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Chemistry; Natural Sciences
Temporal Coverage Begin 2019-03-06T08:00:00Z
Temporal Coverage End 2019-03-07T09:45:55Z