Introduction to session

Andrea Ienco, Helen Maynard-Casely

Humanising science to reach new audience

Delphine CHENEVIER

ESRF, Grenoble, France

External Resource:

Using social media to make crystallography accessible

Rhiannon Morris

Walter and Eliza Hall Institute,Parkville, Australia

External Resource:

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

Cambridge Crystallographic Data Centre, Cambridge, United Kingdom

External Resource:

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

Sneh Patel^1,2, Martin Spasovski^1,2, Andrew Chan^1,2, Dana Goodacre^1,2, Timothy Christopher^1,2, Rosanna Rov^1,2, Mark Smith^1,2, Ryan Silk^1,2, Tilo Söhnel^1,2

¹School of Chemical Sciences, University of Auckland, 23 Symonds Street, Auckland 1010, New Zealand; ²Macdiarmid Institute for Advanced Materials and Nanotechnology, Victoria University of Wellington, Wellington 6140, New Zealand

External Resource:

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

Elizabeth Helen Driscoll¹, Ruth Patchett², Emily Hayward¹, Paul Anderson¹, Emma Kendrick³, Peter Raymond Slater¹

¹School of Chemistry, The University of Birmingham, Edgbaston, B15 2TT, UK; ²School of Education, The University of Birmingham, Edgbaston, B15 2TT, UK; ³School of Metallurgy and Materials, The University of Birmingham, Edgbaston, B15 2TT, UK

External Resource:

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

Paolo Pio Mazzeo

University of Parma, Parma, Italy

External Resource:

Introduction to session

Martin U. Schmidt, Fabia Gozzo

Crystal Structures of Large-Volume Commercial Pharmaceuticals

James A Kaduk¹, Ryan L Hodge¹, Nicholas C Boaz¹, Amy M Gindhart², Thomas N Banton²

¹North Central College, Naperville, United States of America; ²ICDD, Newtown Square, United States of America

External Resource:

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

Kenneth D. M. Harris

School of Chemistry, Cardiff University, Cardiff CF10 3AT, Wales, United Kingdom

External Resource:

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. Germann¹, Mihails Arhangelskis³, Robin S. Stein¹, Robert E. Dinnebier², Tomislav Friščić¹

¹McGill University, Montreal, Canada; ²Max Planck Institute for Solid State Research, Stuttgart, Germany; ³University of Warsaw, Warsaw, Poland

External Resource:

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

Hidehiro Uekusa, Akiko Egami, Hironaga Oyama, Akiko Sekine

Department of Chemistry, Tokyo Institute of Technology, Tokyo, Japan

External Resource:

Structure determination of racemic trichlormethiazide from powder diffraction data

Analio Jose Dugarte Dugarte¹, Robert Toro², Jacco van de Streek³, Jose Antonio Henao², Graciela Diaz de Delgado¹, Jose Miguel Delgado¹

¹Laboratorio de Cristalografía-LNDRX, Departamento de Química, Facultad de Ciencias, Universidad de Los Andes, Merida, Venezuela, Bolivarian Republic of; ²Grupo de Investigación en Química Estructural (GIQUE), Escuela de Química, Facultad de Ciencias, Universidad Industrial de Santander, Bucaramanga, Colombia; ³Avant-garde Materials Simulation, Alte Str. 2, D-79249 Merzhausen, Germany

External Resource:

Difficult structures of organic molecules and how to solve them

Marcus Müller, Dubravka Sisak Jung

DECTRIS Ltd., Baden-Daettwil, Switzerland

External Resource:

Introduction to session

Manuel Guizar Sicairos, Julio Cesar da Silva

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

Chris Jacobsen

Argonne Lab/Northwestern University, Argonne, United States of America

Collaborative software solutions and data standards for ptychographic Imaging

Juliane Reinhardt¹, Dylan McReynolds¹, Harinarayan Krishnan^1,2, David Shapiro¹, Bjoern Enders³, Pete Jemian⁴, Daniel Ching⁴, Junjing Deng⁴, Tekin Bicer⁴, Nicholas Schwarz⁴, Andi Barbour⁵, Wen Hu⁵, Daniel Allan⁵, Dmitri Gavrilov⁵, Alexander Hexemer¹

¹Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, United States; ²Center for Advanced Mathematics for Energy Research Applications (CAMERA), Lawrence Berkeley National Laboratory, Berkeley, CA 94720, United States; ³National Energy Research Scientific Computing Center (NERSC) Lawrence Berkeley National Laboratory, Berkeley, CA 94720, United States; ⁴Advanced Photon Source, Argonne National Laboratory, Lemont, IL 60439, United States; ⁵National Synchrotron Light Source II, Brookhaven National Laboratory, Upton, NY 11973, United States

External Resource:

Quantitative analysis of cementitious materials by X-ray ptychographic nanotomography

S. Shirani¹, A. Cuesta¹, A. G. De La Torre¹, J.C. Da Silva², D. Karpov³, A. Diaz⁴, M. Holler⁴, P. Trtik⁴, M. A.G. Aranda¹

¹Universidad de Malaga, Malaga, Spain; ²Universite Grenoble Alpes, Grenoble, France; ³ESRF synchrotron, Grenoble, France; ⁴Paul Scherrer Institut, Villigen, Switzerland

External Resource:

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

Carles Bosch¹, Ana Diaz², Alexandra Pacureanu³, Mirko Holler², Elisabeth Müller⁴, Andreas Schaefer¹

¹The Francis Crick Institute, London, United Kingdom; ²cSAXS beamline, Paul Scherrer Institut, Villigen, Switzerland; ³ID16A beamline, ESRF, Grenoble, France; ⁴Electron Microscopy Facility, Paul Scherrer Institut, Villigen, Switzerland

External Resource:

Spectral X-ray ptychography for the investigation of technical catalysts

Anico Kulow¹, Samy Ould-Chick², Redhouane Boudjehem¹, Jean Louis Hazemann¹, Tuiana Shoinkhorova², Alla Dikhtiarenko², Mohammed A. Alabdullah², Jorge Gascon², Rachid Sougrat³, Julio César da Silva¹

¹Univ. Grenoble Alpes, CNRS, Grenoble INP, Institut Néel, 38000 Grenoble, France; ²King Abdullah University of Science and Technology, KAUST Catalysis Center, Advanced Functional Materials, Thuwal 23955, Saudi Arabia; ³King Abdullah University of Science and Technology, Core Labs, Thuwal 23955, Saudi Arabia

External Resource:

Coupled ptychography and tomography reconstruction of experimental data

Maik Kahnt^1,2, Johannes Becher³, Dennis Brückner^1,2, Yakub Fam³, Thomas L. Sheppard^3,4, Tobias Weissenberger⁵, Felix Wittwer^1,2, Jan-Dierk Grunwaldt^3,4, Wilhelm Schwieger⁵, Christian G. Schroer^1,2

¹Deutsches Elektronen-Synchrotron DESY, Hamburg, Germany; ²Department Physik, Universität Hamburg, Hamburg, Germany; ³Institute for Chemical Technology and Polymer Chemistry, Karlsruhe Institute of Technology, Karlsruhe,, Germany; ⁴Institute of Catalysis Research and Technology, Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen, Germany; ⁵Institute of Chemical Reaction Engineering, Friedrich-Alexander-University Erlangen-Nürnberg, Erlangen, Germany

External Resource:

Introduction to session

Nikoletta B. Bathori, Laszlo Fabian

Troublesome hydrates of alkaloids

Doris E. Braun

University of Innsbruck, Innsbruck, Austria

External Resource:

Kinetic Retraction at the Onset of Concomitant Crystallization

Tonglei Li

Purdue University, West Lafayette, United States of America

External Resource:

“Particle Informatics”: Evolving methods for understanding particle properties

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

Cambridge Crystallographic Data Centre, Cambridge, United Kingdom

External Resource:

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

Solid-State Chemistry, Abbvie, North Chicago, United States of America

External Resource:

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

Alice Brink

University of the Free State, Bloemfontein, South Africa

External Resource:

Absolute configuration directly determined from 3D electron diffraction data

Paul Benjamin Klar¹, Petr Brázda¹, Yasar Krysiak^1,2, Mariana Klementová¹, Lukas Palatinus¹

¹Institute of Physics, Czech Academy of Sciences, Prague, Czech Republic; ²Institute of Inorganic Chemistry, Leibniz University Hannover, Hannover, Germany

External Resource:

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

University of Ottawa, Ottawa, Canada

External Resource:

Mechanochemical cocrystal formation: Insights into polymorph control

Franziska Emmerling

Federal Institute for Materials Research and Testing, Berlin, Germany

External Resource:

Pervasive approximate symmetry in organic P1 structures

Carolyn Pratt Brock

University of Kentucky, Lexington, United States of America

External Resource:

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

Molly Lightowler¹, Shuting Li², Xiao Ou², Xiaodong Zou¹, Ming Lu², Hongyi Xu¹

¹Department of Materials and Environmental Chemistry, Stockholm University, Stockholm SE-106 91, Sweden; ²School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, China

External Resource:

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

Nada Bosnjaković-Pavlović¹, Bertrand Clair¹, Aziza Ikni¹, Wenjing Li², Sladjana Novaković^1,3, Pascale Gemeiner¹, Philippe Scouflaire⁴, Anne Spasojević-de Biré¹

¹SPMS, Centralesupelec, Gif sur Yvette, France; ²BUCT Paris Curie Engineer School, Beijing, China; ³Institute of Nuclear Sciences, Vinca, Serbia; ⁴EM2C, Centralesupelec, Gif sur Yvette, France

External Resource:

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

Krishnayan Basuroy¹, Jose de J. Velazquez-Garcia¹, Darina Storozhuk¹, Robert Henning², David J. Gosztola³, Sreevidya Thekku Veedu¹, Simone Techert^1,4

¹Photon Science Division, Deutsches Elektronen-Synchrotron DESY, Hamburg, 22607, Germany; ²Center for Advanced Radiation Sources, The University of Chicago, Chicago, Illinois 60637, US.; ³Center for Nanoscale Materials, Argonne National Laboratory, Illinois 60439, US.; ⁴Institut für Röntgenphysik, Georg-August-Universität Göttingen, Göttingen, 37077, Germany

External Resource:

Introduction to session

Vanessa Kate Peterson, Claire Villevieille

Dynamic heterogeneity in transition metal oxide cathodes

Karena Chapman

Stony Brook University, Stony Brook, United States of America

External Resource:

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

Sandrine Lyonnard, Samuel Tardif

CEA IRIG, Grenoble, France

External Resource:

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

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

Bhabha Atomic Research Centre, Mumbai, India

External Resource:

Powerful SAS techniques for operando analysis of battery materials

Eneli Härk¹, Ben Kent², Sebastian Risse¹, Rafael Müller¹, Matthias Ballauff³, Yan Lu¹

¹Department for Electrochemical Energy Storage, Helmholtz-Zentrum Berlin, Hahn-Meitner-Platz 1, 14109, Berlin, Germany; ²School of Chemistry, UNSW Sydney NSW 2052, Australia; ³Institut für Chemie und Biochemie Freie Universitaet Berlin Takustrasse 3, 14195 Berlin,Germany

External Resource:

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

Kosuke Suzuki¹, Shunta Suzuki¹, Yuji Otsuka¹, Naruki Tsuji², Kirsi Jalkanen³, Jari Koskinen³, Kazushi Hoshi¹, Ari-Pekka Honkanen⁴, Hasnain Hafiz⁵, Yoshiharu Sakurai², Mika Kanninen³, Simo Huotari⁴, Arun Bansil⁶, Hiroshi Sakurai¹, Bernardo Barbiellini^7,6

¹Gunma University, Kiryu, Japan; ²Japan Synchrotron Radiation Research Institute, SPring-8, Sayo, Japan; ³Akkurate Oy, Kaarikatu 8b, 20760 Kaarina, Finland; ⁴University of Helsinki, P.O. Box 64, FI-00014 Helsinki, Finland; ⁵Carnegie Mellon University, Pittsburgh, USA; ⁶Northeastern University, Boston, USA; ⁷LUT University, FI-53850 Lappeenranta, Finland

External Resource:

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

Mylene Hendrickx, Joke Hadermann

University of Antwerp, Antwerp, Belgium

External Resource:

Introduction to session

Oluwatoyin Asojo

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

Yakov Cherner¹, Oluwatoyin Asojo², Phillip Cherner³, Yi He⁴, Hamid Garmestani⁵

¹ATeL - Advanced Tools for e-Learning, Swampscott, United States of America; ²Hampton University, Hampton, VA, United States of America; ³Microsoft Corporation, Redmond, WA, United States of America; ⁴City University of New York, NYC, NY, United States of America; ⁵Georgia Institute of Technology, Atlanta, GA, United States of America

External Resource:

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

Karsten W Theis, Roderico Acevedo

Westfield State University, Westfield, United States of America

External Resource:

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

Radomír Kužel

Charles University, Faculty of Mathematics and Physics, Czech Republic

External Resource:

Using Zoom Webinar to Teach Advanced Topics in Crystallography

Joseph D. Ferrara¹, Simon Bates¹, Amanda Cochran¹, Mark Del Campo¹, Christian R. Göb², Florian Kleemiß³, Pierre Le Maguerès¹, Jeff Lengyel⁴, Mathias Meyer⁵, Horst Puschmann⁶, Keisuke Saito¹, Christian Schürmann², Alexandra Stanley², Paul N. Swepston¹, Fraser White², Jakub Wojciechowski²

¹Rigaku Americas Corp., The Woodlands, TX, USA; ²Rigaku Europe SE, Frankfurt, Germany; ³University of Regensburg, Regensburg, Germany; ⁴Cambridge Crystallographic Data Centre Inc, Boston, MA, USA; ⁵Rigaku Polska Sp. z o. o., Wrocław, Poland; ⁶OlexSys Ltd, Durham , United Kingdom

External Resource:

COVID-proofing Biochemistry and engaging diverse students with Crystallography Research

Oluwatoyin Asojo

Hampton University, Hampton, United States of America

External Resource:

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

Joe Tanski

Vassar College, Poughkeepsie, New York, United States of America

External Resource:

Introduction to session

Angel M. Arevalo-Lopez, Andrzej Katrusiak

Complex magnetic structures in frustrated A-site manganites

Elena Solana-Madruga

1CNRS, Université de Lille, Unité de Catalyse et chimie du Solid, 59652 Villeneuve d'Ascq Cedex, France

External Resource:

High pressure effects in molecular magnetic materials with cyanide bridges

Dawid Pinkowicz

Jagiellonian University, Faculty of Chemistry, Krakow, Poland

External Resource:

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

Kunlang Ji, Gessica Moyo, J. Paul Attfield

CSEC and School of Chemistry, University of Edinburgh

External Resource:

Pb₂NiOsO₆: antiferromagnetic order breaks inversion symmetry in high pressure perovskite

Emma E. McCabe¹, Hai L. Feng², Chang-Jong Kang³, Pascal Manuel⁴, Fabio Orlandi⁴, Yu Su⁵, Jie Chen⁵, Yoshihiro Tsujimoto⁵, Joke Hadermann⁶, Gabriel Kotliar³, Kazunari Yamaura⁵, Martha Greenblatt²

¹Durham University, Durham, United Kingdom; ²Department of Chemistry and Chemical Biology, Rutgers, the State University of New Jersey, Piscataway, New Jersey 08854, United States; ³Department of Physics and Astronomy, Rutgers, the State University of New Jersey, Piscataway, New Jersey 08854, United States; ⁴ISIS Facility, STFC, Rutherford Appleton Laboratory, Didcot, Oxfordshire OX11 0QX, U.K.; ⁵International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science, Tsukuba, Ibaraki 305-0044, Japan;; ⁶EMAT, University of Antwerp, 2020 Antwerp, Belgium

External Resource:

High Pressure Diffraction on Single Crystals with Hot Neutrons at MLZ

Martin Meven^1,2, Andrzej Grzechnik¹, Vladimir Hutanu^1,2, Karen Friese³, Andreas Eich^1,3, Georg Roth¹

¹Institute of Crystallography, RWTH Aachen University, 52056 Aachen, Germany; ²Jülich Centre for Neutron Science at Heinz Maier-Leibnitz Zentrum, Forschungszentrum Jülich GmbH, 85747 Garching, Germany; ³Jülich Centre for Neutron Science–2/Peter Grünberg-Institute–4, Forschungszentrum Jülich GmbH, 52425 Jülich, Germany

External Resource:

Magnetic phase diagram of the high-temperature spiral magnet YBaCuFeO₅

Jike Lyu¹, Tian Shang^1,2, Mickaël Morin^1,3, María Teresa Fernández-Díaz⁴, Marisa Medarde¹

¹Paul Scherrer Institut, Villigen, Switzerland; ²Laboratory for Multiscale Materials Experiments, Paul Scherrer Institut, 5232 Villigen PSI, Switzerland; ³Excelsus Structural Solutions (Swiss) AG, PARK innovAARE, 5234 Villigen, Switzerland; ⁴Institut Laue Langevin, 71 avenue des Martyrs, CS 20156, 38042 Grenoble CEDEX 9, France

External Resource:

Introduction to session

Mark Loyola, Bernd Souvignier

Perceiving zeolite self-assembly within the natural tiling model

Vladislav A. Blatov^1,2

¹Samara Center for Theoretical Materials Science (SCTMS), Samara National Research University, Samara, Russian Federation; ²Samara Center for Theoretical Materials Science (SCTMS), Samara State Technical University, Samara, Russian Federation

External Resource:

Combinatorial aspects of Löwenstein’s rule

Jean-Guillaume Eon¹, Montauban Moreira de Oliveira Jr²

¹Federal University of Rio de Janeiro, Rio de Janeiro, Brazil; ²Rural Federal University of Rio de Janeiro

External Resource:

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

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

Ateneo De Manila University, Quezon City, Philippines

External Resource:

A unique and continuous code of all periodic crystals

Vitaliy Kurlin, Olga Anosova, Daniel Widdowson

University of Liverpool, Liverpool, United Kingdom

External Resource:

Synthesis of magnetically frustrated oxides with double perovskite structure

Anastasiia Smerechuk^1,2, Ryan Morrow¹, Sabine Wurmehl¹, Oleg Sidletskiy²

¹Institute for Solid-State and Materials Research, Dresden, Germany; ²Institute for Scintillation Materials NAS of Ukraine, Kharkiv, Ukraine

External Resource:

Introduction to session

Jan Ilavský, Semra Ide

Characterising Food Materials and the Case for Extended q Scattering

Elliot Paul Gilbert

ANSTO, NSW, Australia

External Resource:

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

Masato Ohnuma¹, Shigeru Kuramoto², Isamu Kaneda³

¹Hokkaido University, Sapporo, Japan; ²Ibaraki University, Hitachi, Japan; ³Rakuno Gakuen University, Ebetsu, Japan

External Resource:

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

Fan Zhang¹, Carelyn E. Campbell¹, Mark R. Stoudt¹, Lyle E. Levine¹, Andrew J. Allen¹, Eric A. Lass², Greta Lindwall³

¹Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899, USA; ²Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996, USA; ³Department of Materials Science and Engineering, KTH Royal Institute of Technology, Brinellvägen 8, 114 28 Stockholm, Sweden

External Resource:

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

Tereza Košutová¹, Daniil Nikitin², Pavel Pleskunov², Renata Tafiichuk², Andrei Choukourov², Milan Dopita¹

¹Department of Condensed Matter Physics, Faculty of Mathematics and Physics, Charles University, Ke Karlovu 5, 121 16, Prague, Czech Republic; ²Department of Macromolecular Physics, Faculty of Mathematics and Physics, Charles University, V Holešovičkách 2, Prague, 180 00, Czech Republic

External Resource:

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

Rémi Ndioukane¹, Abdoul Kadri Diallo¹, Ndeye Coumba Yandé Fall¹, Moussa Touré¹, Diouma KOBOR¹, Tabbetha Amanda Dobbins², Jan Illavsky³, Laurent Lebrun⁴

¹Laboratoire de Chimie et de Physique des Matériaux (LCPM), University Assane Seck of Ziguinchor (UASZ), Quartier Néma 2, BP 523, Ziguinchor, Senegal; ²Department of Physics & Astronomy, Provost Fellow (2019), Division of University Research, Rowan University, Oak Hall North 109, 201 Mullica Hill Road Glassboro, NJ 08028-1701; ³X-Ray Science Division, Advanced Photon Source, Argonne National Laboratory 9700 S. Cass Avenue, bldg 433A002, Lemont, IL 60439, USA; ⁴Univ Lyon, INSA-Lyon, LGEF, EA682 - 8 rue de la Physique, F-69621, Villeurbanne, France

External Resource:

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

Peter A Beaucage, Tyler B Martin

National Institute of Standards and Technology, Gaithersburg, United States of America

External Resource:

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 Perez¹, Vincent Caignaert¹, Bernard Raveau¹, Vincent Hardy Hardy¹, Nahed Sakly¹, MD Motin Seikh²

¹CRISMAT, CNRS-ENSICAEN,6 Bd du Maréchal Juin, 14050 Caen Cedex, France; ²Department of Chemistry, Visva-Bharati University, Santiniketan 731235, West Bengal, India

External Resource:

Diffraction enhancement of symmetry and modular structures

Akihiro UMAYAHARA^1,2, Bernd Souvignier¹, Massimo Nespolo²

¹Radboud University, Faculty of Science, Mathematics and Computing Science, Institute for Mathematics, Astrophysics and Particle Physics. Postbus 9010, 6500 GL Nijmegen, The Netherlands.; ²Université de Lorraine, Vandoeuvre lès Nancy, France

External Resource:

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

Jiří Hybler

Institute of Physics of the Czech Academy of Sciences, Prague 8, Czech Republic

External Resource:

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

Leipzig University, Faculty of Chemistry and Mineralogy, Leipzig, Germany

External Resource:

Introduction to session

Igor Huskić, Tomoji Ozeki

Discrete polyoxometalates: from geochemistry via crystal engineering to functional materials

Ulrich Kortz

Jacobs University, Bremen, Germany

External Resource:

Exploration of organic minerals on Saturn’s moon Titan

Helen Maynard-Casely¹, Rob Hodyss², Tuan Vu², Michael Malaska², Mathieu Choukroun², Morgan Cable², Tom Runčevski³

¹Australian Nuclear Science and Technology Organisation, Kirrawee DC, Australia; ²NASA Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA, USA; ³Department of Chemistry, Southern Methodist University, Dallas, TX, USA

External Resource:

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

Tatsuhiro Kojima, Benny Wahyudianto, Takumi Konno

Osaka University, Osaka, Japan

External Resource:

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

Surojit Bhunia, Chilla Malla Reddy

Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Kolkata, Kolkata, India

External Resource:

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

Faiza Habib, Derek Tocher, Claire Carmalt

University College London, London, United Kingdom

External Resource:

Correlated Linker Disorder in Metal-Organic Frameworks

Emily Gabrielle Meekel

University of Oxford, Oxford, United Kingdom

External Resource:

Introduction to session

Giuseppe Resnati, Petra Bombicz

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

Andrea Pizzi¹, Tripathi Abhishek^2,3,4, Andrea Daolio¹, Zhifang Guo³, David Turner^3,4, Glen Deacon^3,4, Harkesh Singh^2,4, Giuseppe Resnati¹

¹Politecnico di Milano, Milano, Italy; ²Indian Institute of Technology; ³Monash University; ⁴IITB-Monash Research Academy

External Resource:

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

Christian Jelsch¹, Yvon Bibila Bisseyou², Benoît Guillot¹

¹CRM2 CNRS Université de Lorraine, Vandoeuvre les Nancy, France; ²University Felix Houphouet-Boigny, Abidjan, Côte d'Ivoire

External Resource:

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

Sergey G. Arkhipov^1,2, Peter S. Sherin^1,3, Alexey S. Kiryutin^1,3, Vladimir A. Lazarenko⁴, Christian Tantardini⁵

¹Novosibirsk State University, Novosibirsk, Russian Federation; ²Boreskov Institute of Catalysis SB RAS; ³International Tomography Center; ⁴National Research Center “Kurchatov Institute”; ⁵Center for Energy Science and Technology, Skoltech Skolkovo Institute of Science and Technology

External Resource:

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

Vishnu Vijayakumar-Syamala¹, Maxime Deutsch¹, Emmanuel Aubert¹, Massimo Nespolo¹, Cyril Palin¹, Emmanuel Wenger¹, Arun Dhaka², Marc Fourmigue², Enrique Espinosa¹

¹Université de Lorraine, CNRS, CRM2, UMR 7036, Nancy 54000, France; ²Institut des Sciences Chimiques de Rennes (ISCR), UMR CNRS 6226, Université de Rennes 1, Campus de Beaulieu, 35042 Rennes, France

External Resource:

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

Mateja Pisačić, Marijana Đaković

Faculty of Science, University of Zagreb, Zagreb, Croatia

External Resource:

Halogen Bonding for Aromatic Hydrocarbon Assembly in the Solid State

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

McGill University, Montreal, Canada

External Resource: