Crystal structure of yttrium hydride oxide and the hydride of LaGa2

PID

Neutron powder diffraction will be used to determine hydrogen (deuterium) positions and occupational parameters in novel metal hydrides (deuterides) at ambient conditions. Zintl phase hydrides exhibit fascinating bonding properties and are interesting for hydrogen storage media. Details of the crystal structure of the deuteride of LaGa2, especially concerning deuterium ordering, will be solved and the crystal structure refined by the Rietveld technique. This will clarify the bonding situation (Ga-D bonds) and allow finalizing the crystal structure refinement for LaGaDx, where LaGa2Dy was found as a secondary phase. Metal hydride oxide have a high potential as functional materials, e. g. for luminescence applications. Neutron powder diffraction data will allow the location of hydrogen (deuterium) positions in the novel hydride oxide YHO (YDO). In this case, the hydride will be used in addition to the deuteride in order to increase the scattering contrast between hydrogen and oxygen.

Identifier
PID https://hdl.handle.net/21.11151/mr8u-umfo
Related Identifier IsCompiledBy https://doi.org/10.5442/NI000002
Metadata Access https://data.helmholtz-berlin.de/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:data.helmholtz-berlin.de:inv/7315
Provenance
Instrument E9 - Fine Resolution Powder Diffractometer (FIREPOD),
Publisher Helmholtz-Zentrum Berlin für Materialien und Energie
Contributor Werwein, Anton; Kohlmann, Holger; Zapp, Nicolas; Helmholtz-Zentrum Berlin für Materialien und Energie
Publication Year 2023
Rights Creative Commons Zero v1.0 Universal; https://creativecommons.org/publicdomain/zero/1.0/
OpenAccess true
Representation
Resource Type Investigation; Collection
Size 176.07 MiB
Discipline Other
Temporal Coverage Begin 2018-07-09T06:00:00Z
Temporal Coverage End 2018-07-11T06:46:54Z