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.
What drives anion order in TiOF?
Abstract: FeOF and TiOF both adopt the rutile structure, and exhibit anion ordering within 2D {110} planes. This anion order gives rise to diffuse scattering, caused by covalency-driven displacements of cations (M = Fe, Ti) within fac-MO3F3 octahedra. Surprisingly, the anion order is different in each case. Recent theoretical predictions have suggested that the TiOF ordering is caused by Ti-Ti (d1-d1) dimerization, but this would have to persist to extremely high temperatures. The aim of this experiment is therefore to investigate the Ti-Ti distance at high temperatures to (dis)prove this hypothesis.
Principal Investigator: Dr James Cumby
Experimenter: Mr Michael Purcell
Local Contact: Dr Ronald Smith
DOI: 10.5286/ISIS.E.RB2420067
ISIS Experiment Number: RB2420067
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.RB2420067-1 | POLARIS | 03 March 2028 | 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 James Cumby et al; (2025): What drives anion order in TiOF?, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2420067
Data is released under the CC-BY-4.0 license.
