ISIS Neutron and Muon Source Data Journal

Local structure elucidation of novel oxyhydrides BaTiO3-xHx

Abstract: 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.

Principal Investigator: Dr Ulrich Haussermann
Experimenter: Dr Maths Karlsson
Experimenter: Mr Reji Nedumkandathil

DOI: 10.5286/ISIS.E.RB1510511

ISIS Experiment Number: RB1510511

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:
Dr Ulrich Haussermann et al; (2015): Local structure elucidation of novel oxyhydrides BaTiO3-xHx, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1510511

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