PDF analysis of Li+ ordering in defect perovskite Li0.18Sr0.66Ti0.5Nb0.5O3 (LSTN)

DOI

Our work on LSTN showed that it exhibits favourable electrochemical properties, i.e. rapid diffusion of lithium into the structure at low temperatures and the ability to reversibly intercalate 0.5 mol of Li+ per formula unit. Ex-situ neutron diffraction performed on chemically intercalated LSTN investigated the position of lithium in the structure. It was found that in the as-synthesised material lithium was disordered, however, once the material was heated lithium began to order partially to a position slightly off-set from the unit cell face. While the position could be determined, the ADPs could not be refined to realistic values. Finally Li in the intercalated material was observed in the centre of the unit cell face. In order to accurately model how the position of lithium changes as a function of Li content in the unit cell PDF analysis of data collected on GEM is required.

Identifier
DOI https://doi.org/10.5286/ISIS.E.24088951
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24088951
Provenance
Creator Dr Siegbert Schmid; Dr William Brant; Dr Thomas Whittle
Publisher ISIS Neutron and Muon Source
Publication Year 2015
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 Photon- and Neutron Geosciences
Temporal Coverage Begin 2012-05-19T08:44:47Z
Temporal Coverage End 2012-05-22T14:13:10Z