Local structure elucidation of novel oxyhydrides BaTiO3-xHx

DOI

The experiment aims at the investigation of the local structure in novel perovskite oxyhydrides BaTiO3-xHx in the temperature range 300 ¿ 900 K by performing NPD experiments on deuterides with two compositions (x = 0.10 and 0.55). Conventional crystallography established a perfect solid solution behavior of O and H, which is highly unusual because of the incompatibility of O2- and strongly reducing H- to form a common anion substructure. Because of the chemical dissimilarity of O2- and H- one can expect that the local coordination environments of the metal ions are intricately distorted. This should reveal from a PDF analysis of neutron total scattering data. Furthermore, mapping the average and local structure as a function of temperature will provide first insight into the predicted H dynamics of BaTiO3-xHx and help in the preparation for dedicated studies by QENS.

Identifier
DOI https://doi.org/10.5286/ISIS.E.61786061
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/61786061
Provenance
Creator Dr Ulrich Haussermann; Mr Reji Nedumkandathil; Dr Maths Karlsson; Dr Ron Smith
Publisher ISIS Neutron and Muon Source
Publication Year 2018
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 2015-06-26T07:00:00Z
Temporal Coverage End 2015-06-30T07:00:00Z