ISIS Neutron and Muon Source Data Journal

Crystal structure transformations in piezoelectric TMCM-MnCl3 via single-crystal neutron diffraction study

Abstract: Trimethyl-chloromethyl ammonium manganese trichloride, C6H16ClN-MnCl (TMCM MnCl ) has recently attracted attention due to its strong piezoelectric effect. The large latent heat of the first order ferroelectric-paraelectric phase transition makes it promising for electrocaloric studies. However, despite several diffraction studies, its structure remains not well understood. Neutron diffraction experiments will allow us to track the precise atomic positions and orientations of organic TMCM cations as a function of temperature. This will provide direct insight into the molecular dynamics of TMCM and its correlation with structural phase transitions. We propose to study temperature-induced transformations of the TMCM-MnCl3 crystal structure in the temperature range of 290 - 440 K using recently grown large, high-quality single crystals. We consider the Single Crystal Diffractometer (SXD) at ISIS as a highly suitable instrument for the proposed experiment.

Principal Investigator: Dr Dmitry Khalyavin
Experimenter: Dr Vladimir Shvartsman
Experimenter: Dr Andrei Salak
Local Contact: Dr Matthias Gutmann
Experimenter: Professor Doru Constantin Lupascu
Experimenter: Ms Chithra Kandappanthodi

DOI: 10.5286/ISIS.E.RB2610240

ISIS Experiment Number: RB2610240

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 Dmitry Khalyavin et al; (2026): Crystal structure transformations in piezoelectric TMCM-MnCl3 via single-crystal neutron diffraction study, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2610240

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