Introduction to session

Andrea Ienco, Helen Maynard-Casely

Humanising science to reach new audience

Delphine CHENEVIER

Using social media to make crystallography accessible

Rhiannon Morris

Using social media to share the wonders of crystallography - perspectives from a structural database

Ilaria Gimondi, Yinka Olatunji-Ojo, Zainab Abdulali, Ana Machado, Sophie Bryant, Suzanna Ward

Memes: a new avenue for spreading crystallographic knowledge for the next generation

Sneh Patel, Martin Spasovski, Andrew Chan, Dana Goodacre, Timothy Christopher, Rosanna Rov, Mark Smith, Ryan Silk, Tilo Söhnel

The Building Blocks of Battery Technology: Inspiring the next generation of battery researchers

Elizabeth Helen Driscoll, Ruth Patchett, Emily Hayward, Paul Anderson, Emma Kendrick, Peter Raymond Slater

Social media for the growth of a scientific community: the case of the Italian Young Crystallographers Group

Paolo Pio Mazzeo

Introduction to session

Martin U. Schmidt, Fabia Gozzo

Crystal Structures of Large-Volume Commercial Pharmaceuticals

James A Kaduk, Ryan L Hodge, Nicholas C Boaz, Amy M Gindhart, Thomas N Banton

Structure determination from powder X-ray diffraction data augmented by complementary techniques

Kenneth D. M. Harris

Monitoring polymorphic transition of a cocrystal to a salt using time-resolved X-ray powder diffraction and solid-state nuclear magnetic resonance spectroscopy

Luzia S. Germann, Mihails Arhangelskis, Robin S. Stein, Robert E. Dinnebier, Tomislav Friščić

Mechanism elucidation of Stepwise dehydration of pharmaceutical hydrate crystals by structure determination from powder diffraction data

Hidehiro Uekusa, Akiko Egami, Hironaga Oyama, Akiko Sekine

Structure determination of racemic trichlormethiazide from powder diffraction data

Analio Jose Dugarte Dugarte, Robert Toro, Jacco van de Streek, Jose Antonio Henao, Graciela Diaz de Delgado, Jose Miguel Delgado

Difficult structures of organic molecules and how to solve them

Marcus Müller, Dubravka Sisak Jung

Introduction to session

Manuel Guizar Sicairos, Julio Cesar da Silva

Ptychography: how it has developed, and where it might lead

Chris Jacobsen

Collaborative software solutions and data standards for ptychographic Imaging

Juliane Reinhardt, Dylan McReynolds, Harinarayan Krishnan, David Shapiro, Bjoern Enders, Pete Jemian, Daniel Ching, Junjing Deng, Tekin Bicer, Nicholas Schwarz, Andi Barbour, Wen Hu, Daniel Allan, Dmitri Gavrilov, Alexander Hexemer

Quantitative analysis of cementitious materials by X-ray ptychographic nanotomography

S. Shirani, A. Cuesta, A. G. De La Torre, J.C. Da Silva, D. Karpov, A. Diaz, M. Holler, P. Trtik, M. A.G. Aranda

Imaging of synapses in 3D with non-destructive synchrotron X-ray ptychography

Carles Bosch, Ana Diaz, Alexandra Pacureanu, Mirko Holler, Elisabeth Müller, Andreas Schaefer

Spectral X-ray ptychography for the investigation of technical catalysts

Anico Kulow, Samy Ould-Chick, Redhouane Boudjehem, Jean Louis Hazemann, Tuiana Shoinkhorova, Alla Dikhtiarenko, Mohammed A. Alabdullah, Jorge Gascon, Rachid Sougrat, Julio César da Silva

Coupled ptychography and tomography reconstruction of experimental data

Maik Kahnt, Johannes Becher, Dennis Brückner, Yakub Fam, Thomas L. Sheppard, Tobias Weissenberger, Felix Wittwer, Jan-Dierk Grunwaldt, Wilhelm Schwieger, Christian G. Schroer

Introduction to session

Nikoletta B. Bathori, Laszlo Fabian

Troublesome hydrates of alkaloids

Doris E. Braun

Kinetic Retraction at the Onset of Concomitant Crystallization

Tonglei Li

“Particle Informatics”: Evolving methods for understanding particle properties

Andrew Gerrard Patrick Maloney, Alexandru Aurelian Moldovan, Murray George Read

A Novel Physics-based Ensemble Modeling Approach that Utilizes Crystal Packing to Predict Aqueous Thermodynamic Solubility

Rajni Miglani Bhardwaj, Richard Hong, Nathan Abraham, Alessandra Mattei, Ahmad Sheikh

The harvesting of small molecule structure and dynamic data for macromolecular and catalytic usage.

Alice Brink

Absolute configuration directly determined from 3D electron diffraction data

Paul Benjamin Klar, Petr Brázda, Yasar Krysiak, Mariana Klementová, Lukas Palatinus

Introduction to session

Kenneth D. M. Harris, Doris E. Braun

Preparation strategies and solid-state NMR characterization of supramolecular architectures based on halogen bonds, chalcogen bonds, and pnictogen bonds

David Bryce

Mechanochemical cocrystal formation: Insights into polymorph control

Franziska Emmerling

Pervasive approximate symmetry in organic P1 structures

Carolyn Pratt Brock

The Crystal Structure of Indomethacin Polymorph δ Solved by 3D Electron Diffraction

Molly Lightowler, Shuting Li, Xiao Ou, Xiaodong Zou, Ming Lu, Hongyi Xu

Analysis of the experimental parameters impacting Non-Photochemical Laser-Induced nucleation of glycine in water

Nada Bosnjaković-Pavlović, Bertrand Clair, Aziza Ikni, Wenjing Li, Sladjana Novaković, Pascale Gemeiner, Philippe Scouflaire, Anne Spasojević-de Biré

Photo-induced electron transfer in Pyrene-(CH₂)₂-N,N'-Dimethylaniline: Time-resolved pink Laue X-ray diffraction studies on crystalline polymorphs.

Krishnayan Basuroy, Jose de J. Velazquez-Garcia, Darina Storozhuk, Robert Henning, David J. Gosztola, Sreevidya Thekku Veedu, Simone Techert

Introduction to session

Vanessa Kate Peterson, Claire Villevieille

Dynamic heterogeneity in transition metal oxide cathodes

Karena Chapman

Operando characterization of battery anodes using mXRD and combined SAXS/WAXS

Sandrine Lyonnard, Samuel Tardif

Insight into the charging-discharging of magnetite electrodes: In-situ XAS study

Chandrani Nayak, Abharana N, S. N. Jha, Dibyendu Bhattacharyya

Powerful SAS techniques for operando analysis of battery materials

Eneli Härk, Ben Kent, Sebastian Risse, Rafael Müller, Matthias Ballauff, Yan Lu

Redox oscillations in 18650-type lithium-ion cell revealed by in-operando Compton scattering imaging

Kosuke Suzuki, Shunta Suzuki, Yuji Otsuka, Naruki Tsuji, Kirsi Jalkanen, Jari Koskinen, Kazushi Hoshi, Ari-Pekka Honkanen, Hasnain Hafiz, Yoshiharu Sakurai, Mika Kanninen, Simo Huotari, Arun Bansil, Hiroshi Sakurai, Bernardo Barbiellini

Optimization of in-situ 3D electron diffraction in an electrochemical liquid cell for crystal structure determination of energy materials

Mylene Hendrickx, Joke Hadermann

Introduction to session

Oluwatoyin Asojo

Adaptable virtual X-Ray laboratories for online teaching, learning, and authentic practice

Yakov Cherner, Oluwatoyin Asojo, Phillip Cherner, Yi He, Hamid Garmestani

Learning in 3D with Pymol and Proteopedia during a pandemic: enzyme catalysis and conformational change

Karsten W Theis, Roderico Acevedo

Teaching crystallography and X-ray diffraction online with MS Teams - experience

Radomír Kužel

Using Zoom Webinar to Teach Advanced Topics in Crystallography

Joseph D. Ferrara, Simon Bates, Amanda Cochran, Mark Del Campo, Christian R. Göb, Florian Kleemiß, Pierre Le Maguerès, Jeff Lengyel, Mathias Meyer, Horst Puschmann, Keisuke Saito, Christian Schürmann, Alexandra Stanley, Paul N. Swepston, Fraser White, Jakub Wojciechowski

COVID-proofing Biochemistry and engaging diverse students with Crystallography Research

Oluwatoyin Asojo

Integrating a discovery based remote/hybrid crystallography lab module into an undergraduate teaching laboratory during the pandemic

Joe Tanski

Introduction to session

Angel M. Arevalo-Lopez, Andrzej Katrusiak

Complex magnetic structures in frustrated A-site manganites

Elena Solana-Madruga

High pressure effects in molecular magnetic materials with cyanide bridges

Dawid Pinkowicz

Crystal and magnetic structures of the high pressure RMnMnTaO₆ (R = Rare earth) double (double) perovskites

Kunlang Ji, Gessica Moyo, J. Paul Attfield

Pb₂NiOsO₆: antiferromagnetic order breaks inversion symmetry in high pressure perovskite

Emma E. McCabe, Hai L. Feng, Chang-Jong Kang, Pascal Manuel, Fabio Orlandi, Yu Su, Jie Chen, Yoshihiro Tsujimoto, Joke Hadermann, Gabriel Kotliar, Kazunari Yamaura, Martha Greenblatt

High Pressure Diffraction on Single Crystals with Hot Neutrons at MLZ

Martin Meven, Andrzej Grzechnik, Vladimir Hutanu, Karen Friese, Andreas Eich, Georg Roth

Magnetic phase diagram of the high-temperature spiral magnet YBaCuFeO₅

Jike Lyu, Tian Shang, Mickaël Morin, María Teresa Fernández-Díaz, Marisa Medarde

Introduction to session

Mark Loyola, Bernd Souvignier

Perceiving zeolite self-assembly within the natural tiling model

Vladislav A. Blatov

Combinatorial aspects of Löwenstein’s rule

Jean-Guillaume Eon, Montauban Moreira de Oliveira Jr

Layer Groups associated with 3-way 3-fold isonemal fabrics

Kristan B. Liza, Ma. Louise Antonette N. De Las Penas

A unique and continuous code of all periodic crystals

Vitaliy Kurlin, Olga Anosova, Daniel Widdowson

Synthesis of magnetically frustrated oxides with double perovskite structure

Anastasiia Smerechuk, Ryan Morrow, Sabine Wurmehl, Oleg Sidletskiy

Introduction to session

Jan Ilavský, Semra Ide

Characterising Food Materials and the Case for Extended q Scattering

Elliot Paul Gilbert

"Slow operand" measurements by laboratory small-angle X-ray scattering

Masato Ohnuma, Shigeru Kuramoto, Isamu Kaneda

Breaking Bad: Towards Certifiable Additively Manufactured Alloys Using Post-Build Heat Treatment

Fan Zhang, Carelyn E. Campbell, Mark R. Stoudt, Lyle E. Levine, Andrew J. Allen, Eric A. Lass, Greta Lindwall

Time-evolution of Au and Ag nanofluids prepared by direct deposition of gas aggregated nanoparticles into the liquid polymer

Tereza Košutová, Daniil Nikitin, Pavel Pleskunov, Renata Tafiichuk, Andrei Choukourov, Milan Dopita

XRD, USAXS, SAXS and WAXS Investigations of ferroelectric PZN-4.5PT nanoparticles thin Films

Rémi Ndioukane, Abdoul Kadri Diallo, Ndeye Coumba Yandé Fall, Moussa Touré, Diouma KOBOR, Tabbetha Amanda Dobbins, Jan Illavsky, Laurent Lebrun

The nSoft Autonomous Formulation Laboratory: SANS/SAXS/WAXS Liquid Handling for Industrial Formulation Discovery

Peter A Beaucage, Tyler B Martin

Introduction to session

Isabella Pignatelli, Berthold Stöger

Designing Composite Spin Chain Structures Built up of Dimeric and Trimeric Polyhedral Units: The oxides A_1+y[(Mn_1-xCo_x)_1-z◊_z]O₃ (A=Ca, Sr; x = 3/8).

Olivier Perez, Vincent Caignaert, Bernard Raveau, Vincent Hardy Hardy, Nahed Sakly, MD Motin Seikh

Diffraction enhancement of symmetry and modular structures

Akihiro UMAYAHARA, Bernd Souvignier, Massimo Nespolo

Polytypism in cronstedtite; how various stacking sequences of layers affect diffraction pattern

Jiří Hybler

Binary beryllium pnictides: ordered and disordered coloring variants of the diamond structure

Alexander Feige, Marvin Michak, Maxim Grauer, Daniel Günther, Lennart Staab, Christopher Benndorf, Oliver Oeckler

Introduction to session

Igor Huskić, Tomoji Ozeki

Discrete polyoxometalates: from geochemistry via crystal engineering to functional materials

Ulrich Kortz

Exploration of organic minerals on Saturn’s moon Titan

Helen Maynard-Casely, Rob Hodyss, Tuan Vu, Michael Malaska, Mathieu Choukroun, Morgan Cable, Tom Runčevski

A Crystal Flask Composed of Huge Cage-of-Cage Metallosupramolecules for the Formation of Polyoxomolybdate

Tatsuhiro Kojima, Benny Wahyudianto, Takumi Konno

Autonomous Recombination and Selfhealing of Fracture in Piezoelectric Organic Crystals: Scopes in Crystal Engineering

Surojit Bhunia, Chilla Malla Reddy

Encapsulations of terpenes, aromatic and non-aromatic compound in metal-organic framework via the crystalline sponge method.

Faiza Habib, Derek Tocher, Claire Carmalt

Correlated Linker Disorder in Metal-Organic Frameworks

Emily Gabrielle Meekel

Introduction to session

Giuseppe Resnati, Petra Bombicz

Seleninic acids as chalcogen bond donors: a molecular insight of GPx activity

Andrea Pizzi, Tripathi Abhishek, Andrea Daolio, Zhifang Guo, David Turner, Glen Deacon, Harkesh Singh, Giuseppe Resnati

Deciphering the driving forces in crystal packings by analysis of hydrogen bonds, electrostatic energies and contact enrichment ratios.

Christian Jelsch, Yvon Bibila Bisseyou, Benoît Guillot

The role of S-bond in tenoxicam keto–enolic tautomerization.

Sergey G. Arkhipov, Peter S. Sherin, Alexey S. Kiryutin, Vladimir A. Lazarenko, Christian Tantardini

Evolution of halogen bonding interactions in a co-crystal system: X-ray diffraction under pressure in lab

Vishnu Vijayakumar-Syamala, Maxime Deutsch, Emmanuel Aubert, Massimo Nespolo, Cyril Palin, Emmanuel Wenger, Arun Dhaka, Marc Fourmigue, Enrique Espinosa

Tuning mechanical responses of crystalline cadmium(II) coordination polymers through cyano functionality and halide anions

Mateja Pisačić, Marijana Đaković

Halogen Bonding for Aromatic Hydrocarbon Assembly in the Solid State

Jogirdas Vainauskas, Tristan H. Borchers, Filip Topić, Tomislav Friščić