Conference Agenda

Session
Poster - 50 High Pressure: High Pressure Crystallography
Time:
Saturday, 21/Aug/2021:
5:10pm - 6:10pm

Session Chair: Przemyslaw Dera
Session Chair: Jon Henry Eggert
Session Chair: Lars Ehm
Session Chair: Vitali Prakapenka

 


Presentations
ID: 1977 / Poster - 50 High Pressure: 1
Poster session abstracts
Poster

Poster session abstracts

Radomír Kužel



ID: 659 / Poster - 50 High Pressure: 2
All topics
Oral/poster
MS: Crystallography using large volume presses and diamond anvil cells, High pressure crystallography
Keywords: High-pressure research, photon-counting x-ray detector, cadmium telluride, powder diffraction, time-resolved

EIGER2 CdTe detectors for hard X-ray research under extreme conditions

Tilman Donath, Max Burian, Stefan Brandstetter

DECTRIS Ltd., 5405 Baden-Daettwil, Switzerland



ID: 381 / Poster - 50 High Pressure: 3
Bursary application
Oral/poster
MS: Crystallography using large volume presses and diamond anvil cells, High pressure crystallography
Keywords: completeness, diamond anvil cell, high pressure, methodology

Completeness of data in XRD experiments using Diamond Anvil Cell

Daniel Tchoń, Anna Makal

Faculty of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland

Bibliography
> D. Tchoń, D. Trzybiński, A. Wrona-Piotrowicz, A. Makal, Polymorphism and resulting luminescence properties of 1-acetylpyrene, CrystEngComm 21, 5845 (2019)
> D. Tchoń, A. Makal, Structure and piezochromism of pyrene-1-carbaldehyde at high pressure, Acta Cryst B 75, 343 (2019)
> D. Tchoń, A. Makal, M. Gutmann, K. Woźniak, Doxycycline hydrate and doxycycline hydrochloride dihydrate – crystal structure and charge density analysis, Zeitschrift fur Kristallographie - Crystalline Materials 233, 649 (2018)


ID: 273 / Poster - 50 High Pressure: 4
Bursary application
Oral/poster
MS: Crystallography using large volume presses and diamond anvil cells, High pressure crystallography, Non-covalent interactions in crystal engineering
Keywords: Crystal structure, L-Arg homologue, Hydrogen bond, High pressure, SHG

Pressure dependence of crystal and molecular structure and NLO response of L-Arg homologue salts.

Piotr Rejnhardt1, Jan K. Zaręba2, Andrzej Katrusiak3, Marek Daszkiewicz1

1Institute of Low Temperature and Structure Research, Polish Academy of Sciences, 50-950 Wrocław 2, P.O. Box 1410, Poland; 2Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, 50-370 Wrocław, Poland; 3Faculty of Chemistry, Adam Mickiewicz University, Umultowska 89b, Poznań, 61-614, Poland

Bibliography
Rejnhardt, P., Baran, J., & Daszkiewicz, M. (2019). Phase transition in polar 2-nitroanilinium nitrate. Graph-set approach of hydrogen bonding patterns and analysis of vibrational spectra. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 207. https://doi.org/10.1016/j.saa.2018.09.041

Rejnhardt, P., Drozd, M., & Daszkiewicz, M. (2020). Phase transition in 2-nitroanilinium bisulphate. Graph-set analysis, spectroscopic and theoretical studies. Journal of Molecular Structure, 127772. https://doi.org/10.1016/j.molstruc.2020.127772

Rejnhardt P. & Daszkiewicz M. (2021) Crystal structure, theoretical and vibrational analysis of isostructural salts of l-arginine analogue, (S)-2-amino-3-guanidinopropanoic acid. Journal of Molecular Structure, Volume 1229, 5 April 2021, 129620. https://doi.org/10.1016/j.molstruc.2020.129620

Rejnhardt, P., Daszkiewicz, M. Crystal structure and vibrational spectra of salts of 1H-pyrazole-1-carboxamidine and its protonation route. Struct Chem (2020). https://doi.org/10.1007/s11224-020-01671-0


ID: 1520 / Poster - 50 High Pressure: 5
All topics
Poster
MS: Crystallography using large volume presses and diamond anvil cells, High pressure crystallography, Disordered materials: spectroscopic and scattering techniques
Keywords: site disorder, neutron diffraction, high pressure, maximum entropy method, pair distribution function

Reinvestigation of site-disorder in dense ice by in-situ neutron diffraction techniques

Keishiro Yamashita1, Kazuki Komatsu1, Stefan Klotz2, Oscar Fabelo3, Maria Teresa Fernández-Díaz3, Jun Abe4, Shinichi Machida4, Tetsuo Irifune6, Takanori Hattori5, Toru Shinmei6, Kazumasa Sugiyama7, Toru Kawamata7, Hiroyuki Kagi1

1Geochemical Research Center, Graduate School of Science, The University of Tokyo, Hongo 7-3-1, Bunkyo-ku, Tokyo, 113-0033, Japan; 2IMPMC, UMR 7590, Sorbonne Université, Paris, France; 3Institut Laue-Langevin, Grenoble, France; 4Neutron Science and Technology Center, Comprehensive Research Organization for Science and Society, IQBRC Bldg, 162-1 Shirakata, Tokai, Naka, Ibaraki 319-1106, Japan; 5J-PARC Center, Japan Atomic Energy Agency, 2-4 Shirakata, Tokai-mura, Ibaraki 319-1195, Japan; 6Geodynamics Research Center, Ehime University, Matsuyama 790-8577, Japan; 7Institute for Materials Research, Tohoku University, Sendai, Japan



ID: 1509 / Poster - 50 High Pressure: 6
All topics
Poster
MS: High pressure crystallography
Posters only: Methods, instrumentation (if it does not fit to any specific topics)
Keywords: Uniaxial pressure, Single crystal diffraction, Synchrotron beamline, Mn3Ge

Uniaxial pressure in a High-resolution X-ray Diffraction environment

Vinícius E. S. Frehse1,2, Gustavo A. Lombardi1,2, José C. Corsaletti Filho1, Cris Adriano2, Ricardo D. dos Reis1, Guilherme A. Calligaris1

1Brazilian Synchrotron Light Laboratory, Brazilian Center for Research in Energy and Materials, Campinas, SP, 13083-970, Brazil; 2Institute of Physics "Gleb Wataghin", University of Campinas – UNICAMP, 13083-859, Campinas, SP, Brazil



ID: 1489 / Poster - 50 High Pressure: 7
Physics and fundamental crystallography
Poster
MS: High pressure crystallography
Keywords: IUCr2021, abstracts, X-ray powder diffraction, mechanochemistry, in situ

In situ XRPD of the synthesis of corundum from boehmite during ball milling.

Tobias Rathmann1, Hilke Petersen1, Steffen Reichle1, Martin Etter2, Amol P. Amrute1, Wolfgang Schmidt1, Claudia Weidenthaler1

1Max-Planck-Institut für Kohlenforschung, Heterogeneous Catalysis, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, Germany; 2Deutsches Elektronen-Synchrotron (DESY), Notkestraße 85, 22607 Hamburg, Germany



ID: 1709 / Poster - 50 High Pressure: 8
Physics and fundamental crystallography
Oral/poster
MS: Crystallography using large volume presses and diamond anvil cells
Keywords: superconductivity, amorphous density, metavalent

Polyamorphizationinduced superconductivity in Sb2Se3

Wenge Yang

Center for High Pressure Science and Technology Advanced Research (HPSTAR), Shanghai, China, People's Republic of



ID: 1783 / Poster - 50 High Pressure: 9
All topics
Oral/poster
MS: High pressure crystallography
Keywords: Impact energy; Mechanochemical synthesis; Phase transformation; Mill

New materials development utilizing mechanochemical synthesis

Phuong Quang Hoang Nguyen1, Warren McKenzie1, Dongzhou Zhang1,2, Jingui Xu1,2, Robert Rapp1, John Phillip Bradley1, Przemyslaw Dera1

1Hawaii Institute of Geophysics and Planetology, University of Hawaii at Manoa, Honolulu, Hawaii 96822, USA; 2GeoSoiEnviro CARS, Argonne National Laboratory, University of Chicago, Argonne, Illinois 60439, USA



ID: 1706 / Poster - 50 High Pressure: 10
Physics and fundamental crystallography
Oral/poster
MS: Phase transitions in complex materials (structure and magnetism), Crystallography using large volume presses and diamond anvil cells, High pressure crystallography
Posters only: Structure and phase transitions in advanced materials
Keywords: Topological Insulator; High Pressure; Density Functional Theory; Phase Transition

Exploring the high pressure bcc alloy phase of topological Insulator PbBi4Te7: synchrotron x-ray diffraction measurement and DFT simulations

Brahmanad Chakraborty1,2, Sumita Sura2, Nandini Garg1,2

1Bhabha Atomic Research Centre India, Mumbai, India; 2Homi Bhabha national institute Mumbai India



ID: 1656 / Poster - 50 High Pressure: 11
Physics and fundamental crystallography
Oral/poster
MS: Crystallography using large volume presses and diamond anvil cells, High pressure crystallography
Keywords: High pressure, synchrotron X-ray techniques, XRD, XPCS, tomography

Researches on pressure induced phase transitions using multiple synchrotron X-ray techniques: From crystalline to non-crystalline samples

Luhong Wang1, Arthur Haozhe Liu2

1Harbin Institute of Technology, Harbin, China, People's Republic of; 2HPSTAR, Beijing, China, People's Republic of