ISIS Neutron and Muon Source Data Journal

Negative thermal expansion in V2OPO4

Abstract: Much effort has been devoted to the research of new NTE materials and the understanding of the mechanism driving this phenomenon. As part of our ERC grant on ‘orbital molecules’, we have recently discovered that the vanadium oxyphosphate V2OPO4 displays NTE at high temperatures associated with a charge ordering transition. To determine the origin of the NTE, we propose to measure precise atomic coordinates and anisotropic thermal displacement parameters as a function of temperature from RT to 1200 K, well above TCO = 605 K, through neutron powder diffraction. Neutrons are needed to obtain accurate information for the oxygen atoms. 2 days are required to collect a series of patterns in the RT-1200 K range, during heating and cooling, using a 3g powder sample.

Principal Investigator: Professor Paul Attfield
Experimenter: Mr Padraig Kearins
Experimenter: Dr Elise Pachoud
Experimenter: Dr Kunlang Ji
Local Contact: Dr Alexandra Gibbs

DOI: 10.5286/ISIS.E.RB1810074

ISIS Experiment Number: RB1810074

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:
Professor Paul Attfield et al; (2018): Negative thermal expansion in V2OPO4 , STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1810074

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