TY - JOUR

T1 - Phase transition in an organic ferroelectric: glycinium phosphite, with and without X-ray radiation damage

AU - Bogdanov, Nikita E.

AU - Zakharov, Boris A.

AU - Chernyshov, Dmitry

AU - Pattison, Philip

AU - Boldyreva, Elena V.

N1 - Funding Information: The following funding is acknowledged: Ministry of Science and Higher Education of Russia (contract No. AAAA-A21-121011390011-4); the Russian Foundation for Basic Research (grant No. 19-29-12023). Funding Information: The synchrotron experiments were performed at the SNBL BM01A at the ESRF. NEB, BAZ and EVB acknowledge support by the Ministry of Science and Higher Education of Russia; the work was carried out jointly by Boreskov Institute of Catalysis and Novosibirsk State University. Laboratory experiments were carried out using the equipment of the Research and Education Center ‘Molecular design and ecologically safe technologies’ of Novosibirsk State University. DC would like to thank the Russian Foundation for Basic Research. The authors thank Prof. Y. Zubavichus for helpful discussions. Publisher Copyright: © 2021 International Union of Crystallography. All rights reserved. Copyright: Copyright 2021 Elsevier B.V., All rights reserved.

PY - 2021/6/1

Y1 - 2021/6/1

N2 - Thermal evolution of an organic ferroelectric, namely, glycinium phosphite, was probed by multi-temperature single-crystal diffraction using synchrotron radiation and also by a similar experiment with a laboratory X-ray diffractometer. Both series of measurements showed a transition from the paraelectric to the ferroelectric state at nearly the same temperature, Tc = 225 K. Temperature evolution of the unit-cell parameters and volume are drastically different for the synchrotron and laboratory data. The latter case corresponds to previous reports and shows an expected contraction of the cell on cooling. The data collected with the synchrotron beam show an abnormal nonlinear increase in volume on cooling. Structure analysis shows that this volume increase is accompanied by a suppression of scattering at high angles and an apparent increase of the anisotropic displacement parameters for all atoms; we therefore link these effects to radiation damage accumulated during consecutive data collections. The effects of radiation on the formation of the polar structure of ferroelectric glycinium phosphite is discussed together with the advantages and drawbacks of synchrotron experimentation with fine temperature sampling.

AB - Thermal evolution of an organic ferroelectric, namely, glycinium phosphite, was probed by multi-temperature single-crystal diffraction using synchrotron radiation and also by a similar experiment with a laboratory X-ray diffractometer. Both series of measurements showed a transition from the paraelectric to the ferroelectric state at nearly the same temperature, Tc = 225 K. Temperature evolution of the unit-cell parameters and volume are drastically different for the synchrotron and laboratory data. The latter case corresponds to previous reports and shows an expected contraction of the cell on cooling. The data collected with the synchrotron beam show an abnormal nonlinear increase in volume on cooling. Structure analysis shows that this volume increase is accompanied by a suppression of scattering at high angles and an apparent increase of the anisotropic displacement parameters for all atoms; we therefore link these effects to radiation damage accumulated during consecutive data collections. The effects of radiation on the formation of the polar structure of ferroelectric glycinium phosphite is discussed together with the advantages and drawbacks of synchrotron experimentation with fine temperature sampling.

KW - Ferroelectric

KW - Glycinium phosphite

KW - Hydrogen bonding

KW - Radiation damage

KW - Spontaneous strain

UR - http://www.scopus.com/inward/record.url?scp=85107671231&partnerID=8YFLogxK

U2 - 10.1107/S2052520621003127

DO - 10.1107/S2052520621003127

M3 - Article

C2 - 34096518

AN - SCOPUS:85107671231

VL - 77

SP - 365

EP - 370

JO - Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

JF - Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

SN - 2052-5192

IS - Pt 3

ER -