ISIS Neutron and Muon Source Data Journal
This is a page describing data taken during an experiment at the ISIS Neutron and Muon Source. Information about the ISIS Neutron and Muon Source can be found at https://www.isis.stfc.ac.uk.
Local structure of Ca1.5Yb1.5Ga5O11.25 ? how does the garnet structure accommodate such a large oxygen deficiency?
Abstract: We recently synthesised an oxide-deficient gallate garnet Ca1.5Yb1.5Ga5O11.25 by a glass-crystallisation approach. The garnet structure is a common struture type supporting a range of commercial functional oxides (especially optical materials), but it has never been demonstrated to support such a high concentration of vacancies on the oxygen sublattice. Provisional studies by 71Ga MAS-NMR and neutron powder diffraction (D2B @ILL) confirm (i) that the compound contains less 6-coordinate Ga3+ than expected for a garnet structure, and (ii) that the refined site occupancy factor for the oxygen sublattice is consistent with ~6% vacancies. Furthermore, diffuse scattering in the neutron powder data and synchrotron XRD data implies the presence of local deviations from the average structure - this is logical, as an O-deficient garnet structure must relax locally to avoid the non-physical scenario of 3-coordinated Ga3+. However, there is no experimental model for such a structural relaxation. Here, we propose a PDF study to characterise the local structure of CaYbGa5O11.25 with high sensitivity to the oxygen environments, and understand how it is able to accommodate oxygen vacancies.
Principal Investigator: Dr Michael Pitcher
Local Contact: Dr Helen Playford
Experimenter: Mr Pierre-Loup Savary
DOI: 10.5286/ISIS.E.RB2610233
ISIS Experiment Number: RB2610233
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.RB2610233-1 | POLARIS | 31 May 2029 | Download |
Publisher: STFC ISIS Neutron and Muon Source
Data format: RAW/Nexus
Select the data format above to find
out more about it.
Data Citation
The recommended format for citing this dataset in a research
publication is as:
[author], [date], [title], [publisher],
[doi]
For Example:
Dr Michael Pitcher et al; (2026): Local structure of Ca1.5Yb1.5Ga5O11.25 ? how does the garnet structure accommodate such a large oxygen deficiency?, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2610233
Data is released under the CC-BY-4.0 license.
