Acta Crystallographica Section A
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Volume 81| Part a1

ISSN: 2053-2733

August 2025 issue

Abstracts of the 35th European Crystallography Meeting

Lviv - Poznan, Ukraine - Poland, 25-29 August 2025

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abstracts

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AI/ML in crystallography: What can it do for us, what can we do with it?

S. J. L. Billinge

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Modulation and modularity in natural and synthetic sulfosalts

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Crystallochemistry underneath function: in situ powder diffraction at work

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George Sheldrick's SHELX: success for all

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Structural insight into the complex regulation of the Calvin–Benson cycle

L. Gurrieri, R. Marotta, S. Fanti, A. Del Giudice, E. J. Mattioli, M. Calvaresi, L. Galantini, P. Trost, F. Sparla and S. Fermani

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Electron density and chemical bond in intermetallic compounds

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Application of crystal engineering tools for the design of multiphase formulations for food and pharmaceuticals

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Crystal structure determination and refinement from serial precession electron diffraction

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BioStin-E: towards an individualized path to self-learning in integrative structural biology

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Toward understanding the molecular architecture of a glycogen-committed PP1/PTG holoenzyme: a putative target for lafora disease

P. Storici, M. S. Semrau, R. Ortolan, G. Giachin, A. Dalle Vedove, S. Covaceuszach, A. Cassetta and G. Lolli

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Crystals under pressure: their compression and intermolecular forces

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Electrostatic contributions of ATP synthase to cellular energy production

I. K. Matar, P. Fahimi, J.-N. Vigneau and C. F. Matta

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Experimental charge density investigations: data and model quality

R. Herbst-Irmer

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Breaking boundaries, creating connections: the Cambridge Structural Database at 60

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Journey into the fascinating world of aperiodic crystals

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Crystallography beyond independent atom model

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Bridging the gap. Serial crystallography at fourth-generation synchrotrons: current status and future goals

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Single crystals and beyond – research and study in Kharkiv amid explosions and air alarms

V. Chebanov and I. Shcherbakov

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New aspects of DNA recognition by plant WRKY transcription factors revealed by structural and functional study

M. Grzechowiak, A. Ruszkowska, J. Sliwiak, A. Urbanowicz, M. Jaskolski and M. Ruszkowski

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Unprecedented nuclease activity explained by structure – where one bond matters

J. Dohnálek, K. Adámková, M. Trundová, B. Hust'áková, J. Dušková, P. Kolenko, T. Skálová and T. Kovaľ

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Crystal structure of the TREX1–DNA mimic foldamer complex: a novel inhibition mechanism of the first foldamer-based inhibitor targeting the cancer immunotherapeutic protein

C.-Y. Tsai, Y.-Y. Yang, V. Corvaglia, J. Wu, K.-W. Huang, I. Huc and Y.-Y. Hsiao

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Naphthyridine carbamate dimer ligand induces formation of Z-RNA-like fold of disease-related RNA and serves as a molecular glue for crystal lattice formation

M. Mateja-Pluta and A. Kiliszek

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Mechanistic insights into heme iron photoreduction: influence of temperature on redox and structural states

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Probing the modulation of enzyme kinetics by multi-temperature time-resolved serial crystallography

E. C. Schulz, A. Prester, D. von Stetten, G. Gore, C. E. Hatton, K. Bartels, J. P. Leimkohl, H. Schikora, H. M. Ginn, F. Tellkamp and P. Mehrabi

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MicroMAX – advanced beamline for serial crystallography and time-resolved studies

M. Bjelčić, D. Lang, O. Aurelius, M. Milas, M. Chenchiliyan, C. M. Casadei, J. Nan, I. Gorgisyan, A. E. Jagudin, M. Eguiraun, A. Nardella, A. Gonzalez, M. Malmgren, E. Panepucci and T. Ursby

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Coot and Moorhen: evolving interactive model building from desktop to web

L. Catapano, S. McNicholas, C. Dugat, J. Smulski, M. Noble and P. Emsley

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Learning protein motions

S. Grudinin, R. Vuillemot, K. Olechnovič, V. Lombard and E. Laine

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Dictionary-driven atom type recognition for aspherical electron density reconstruction in macromolecules with the MATTS data bank

P. M. Rybicka, M. Kulik, C. Grandgirard, M. L. Chodkiewicz and P. M. Dominiak

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A deep learning-powered ChimeraX plugin for ligand identification in cryoEM

J. Karolczak, A. Przybyłowska, W. Taisner, J. M. Heumann, M. H. B. Stowell and D. Brzeziński

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Validation of 3D cryoEM single-particle reconstruction correctness and handedness with Ewald's sphere correction

Z. Otwinowski, R. Bromberg, Y. Guo and D. Borek

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Structural insights into the bacterial antiviral defense system thoeris

G. Tamulaitiene

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Integrative multi-temperature time-resolved crystallography provides insight into molecular kinetics and dynamics of the Class A β-lactamase hydrolysis mechanism

A. Prester, D. von Stetten, G. Gore, H. Rohde, H. Ginn and E. C. Schulz

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Targeting the Shigella-specific chaperone IpgC in drug development

A. Heine, M. Gárdonyi, C. Hasewinkel, J. Wallbaum, J. Wollenhaupt, M. S Weiss, G. Klebe and K. Reuter

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Crystallographic structures of bacteriophage receptor-binding proteins and endolysins

M. J. van Raaij, M. Seoane-Blanco, P. Soriano-Maldonado and A. Pichel-Beleiro

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High-precision high-accuracy macromolecular crystallography

A. Chari, E. Paknia, A. Mehr, E. Newby, U. L. Dakshinamoorthy, C. Flensburg, C. Vonrhein, R. Fogh, P. Keller, T. R. Schneider, C. Schulze-Briese, G. Bourenkov and G. Bricogne

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Time-resolved X-ray diffraction studies of enzymatic reactions

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Structure correlation analysis of the nucleophilic attack in the three classes of L-asparaginases

M. Jaskolski, M. Gilski and K. Pokrywka

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Awakening Striga: cooperative strigolactone perception by the E3 ubiquitin ligase–receptor–substrate complex

I. A. Vancea, U. F. Shahul Hameed, J. C. Moreno, B. Huntington, M. Jamil, A. Balakrishna, W. Steinchen, C. Savva, S. Al-Babili and S. T. Arold

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Advanced cryo-trapping time-resolved crystallography: Spitrobot-2 enables investigation of protein dynamics with millisecond time resolution

M. Spiliopoulou, C. E. Hatton, M. Kollewe, J. P. Leimkohl, H. Schikora, F. Tellkamp, P. Mehrabi and E. C. Schulz

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Structure-based hit discovery for protein and RNA targets for antibiotics

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Preserving and publishing crystallographic fragment-screening data

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High-throughput fixed target SFX for pharmaceutical screening at the European XFEL

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New horizons for structure-based discovery of PYCR1 inhibitors

W. Ragin-Oh, D. Czerwonka, H. L. Tran and M. Ruszkowski

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Covalent fragment-based drug discovery as a strategy to combat leishmaniasis

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Counting and filtering macromolecular electron diffraction data

M. T. B. Clabbers

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Developing electron diffraction methods to probe oxidation states in metalloenzymes

L. Pacoste, R. Kumar, V. Femoen, V. Ignatev, D. Liebschner, P. Afonine, B. Poon, M. Chodkiewicz, V. Srinivas, B. Blomberg, H. Labrette, H. Xu, G. Hofer, P. M. Dominiak, M. Högbom and X. Zou

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Modeling the protein electrostatic potential Fourier maps across resolutions

M. Kulik and P. M. Dominiak

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HeXI: the High-energy Electron Xtallography Instrument

P. Nunes, G. Duller, R. Littlewood, M. Lunnon and A. Siebert

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Adapting the YoneoLocr package for automated data processing at the Electron Bio-imaging Centre

M. D. Petrovic, D. McDonagh and D. Waterman

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X-ray based multi-modalities to understand complex (nano)material systems with applications in biomedicine

D. Stefanita, L. Krupnik, R. Zboray, B. Silva and A. Neels

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Anomalous crystallography – can we see oxidation states in crystal structures?

M. Bodensteiner, F. Meurer, A. Zwolenik and A. Makal

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CryoEM structure of Homarus americanus α-crustacyanin reveals the astaxanthin molecular tuning in marine invertebrate colouration

M. C. Cedri, H. Bansia, A. Amici, T. Collet, P. Moretti, M. G. Ortore, A. McCarthy, C. Mueller-Dieckmann, R. Lingas, Bo Durbeej, N. Raffaelli, T. Wang, A. des Georges and M. Cianci

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Validating protein structures in the AlphaFold 3 era: a contact map-based approach with conkit-validate

A. J. Simpkin, R. M. Keegan and D. J. Rigden

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Validation of symmetric protein assemblies predicted by SymProFold

C. Grininger, C. Buhlheller, T. Sagmeister, N. Gubensäk, L. Bursic, T. Hainthaler and T. Pavkov-Keller

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Addressing quality gaps and enabling data interoperability of nucleic acid structures

B. Schneider, L. Biedermannová, P. Božíková, M. Malý, T. Prchalová, J. Svoboda and J. Černý

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Racemic crystal structure of a synthetic DNA hairpin with diquinoline linker

P. K. Mandal, M. Loos, F. Xu and I. Huc

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Bacterial toxin interaction with human glycolipid: structure of Pseudomonas aeruginosa lectin LecA/galactose complex using neutron macromolecular crystallography

T. Arnaud, J. Devos, L. Gajdos, E. Richard, A. Varrot, M. Blakeley and A. Imberty

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Relating structure and spin crossover properties in Hofmann complexes

M. G. Robb and H. L. B. Boström

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Amorphous GeTe: structure versus phase change memory properties

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Engineering thermochromism in low-dimensional perovskites through halogen bonding

G. Cavallo, A. Stergiou and P. Metrangolo

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Lively crystals – on the mechanism of thermally induced structural adjustments in elastically adaptable coordination polymers

M. Pisačić, M. Zausnig and M. Đaković

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Structure–property interplay in Cu₆Te_3−xS_1+x: an analytical approach to thermoelectric optimization

K. T. Wojciechowski, O. Cherniushok, T. Parashchuk and Y. Tokaychuk

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Understanding and tuning the electronic structure of covalent organic frameworks

M. Ernst, R. Fedorov, A. Calzorali, G. Gryn'ova, J. Hutter and S. Battaglia

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Crystal engineering of bismuth iodide derivatives for physical reservoir computing

E. Cechosz, G. Abdi, M. Gryl, A. Karacali, A. S. K. Zaman, A. Sławek, H. Tanaka and K. Szaciłowski

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Streaming crystallography and Landau theory on the study of the out-of-equilibrium photo-induced phase transition in a RbMnFe Prussian blue analogue

R. G. Torres Ramírez, M. Hervé, G. Privault, E. Trzop, S. Akagi, Y. Watier, S. Zerdane, I. Chaban, C. Mariette, A. Volte, M. Cammarata, M. Levantino, H. Tokoro, S. Ohkoshi and E. Collet

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Stacking interactions in 'layered' energetic crystals: insights into electronic properties of supramolecular architecture defining macroscopic mechanical features

I. V. Omelchenko

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Photomechanical motions in organoboron crystals featuring topochemical reactivity and phosphorescence emission

S. Bhandary, A. M. Kaczmarek and K. Van Hecke

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How an exotic synthesis path coupled with semi-automated processes can accelerate the discovery of new materials

G. Minart, M. Reynaud, M. Casas-Cabanas, L. Croguennec and J. Olchowka

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Metal hydrides for energy storage and hydrogenation reactions

V. Paul-Boncour, Y. Verbovytskyy, V. Shtender and I. Zavaliy

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Metal hydridoborates, novel materials for energy conversion and storage

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Electronic structure and transport properties of novel Mo–Ru–Ge Nowotny chimney-ladder phases

K. Pryga, B. Korotoshyn, B. Wiendlocha and R. Gladyshevskii

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In operando battery study of NMC811 and beyond: what a benchtop XRD can achieve

S. Weizmiller, W. Ju and C. Giacobbe

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A long-lasting exploration journey through classic, new and rediscovered approaches for studying Mg-containing intermetallics

S. De Negri and P. Solokha

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Structural insights into ternary intermetallic nickel tetrelides

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Structural database of kagome intermetallics: topology + geometry approach

N. Hulai, D. Wen, J. E. Griffiths, J. Clymo, L. M. Daniels, J. Alaria, M. S. Dyer, J. B. Claridge and M. J. Rosseinsky

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Synchrotron X-ray powder diffraction investigation of the crystal structure of HoCo₁₂B_6−xC_x

K. Al-Namourah, L. V. B. Diop, V. Svytlik, C. Henning, Y. Mozharivskyj and O. Isnard

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Representatives of the Nowotny chimney-ladder phases in the Mo–Ge system

B. Korotoshyn, N. Muts, L. Akselrud, Ya. Tokaychuk and R. Gladyshevskii

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Magnetic modulations in bulk α-BiFeO₃ described using monoclinic superspace groups

I. Sosnowska, R. Przeniosło and P. Fabrykiewicz

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Crystal symmetry and magnetic structures in frustrated and non-frustrated Ho systems

M. S. Henriques, S. Goswami and V. Petříček

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Complex magnetic properties of RE₅T₂In₄ (RE = Gd–Tm; T = Ni, Rh, Pd, Pt) intermetallics

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Study of the magnetic structure of the helimagnet YBaCuFeO₅ using neutron and X-ray scattering

Y.-H. Liang, K. C. Rule and C.-H. Du

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Magnetic anisotropy in layered vanadyl phosphates: insights from DFT+U and X-ray charge density studies

L. Šarić, I. Živković, S. V. Churakov, S. Grabowsky, L. A. Malaspina, R. Scatena and G. Cametti

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Revealing invisibles: analysis of complex structures by 3D electron diffraction

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Direct quantitative localisation of aluminium in individual zeolite crystals by 3D electron diffraction

S. Mahmoudi, V. Paunović, T. Gruene, J. A. van Bokhoven and B. Keppler

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Rapid development of a vast family of MOFs facilitated by 3D electron diffraction

E. Svensson Grape, J. A. Lopez Olvera, Y. Zheng, J. Ha, Y. Xia, T. Willhammar and A. K. Inge

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When crystallography meets planetary science: insights into large icy moons of Jupiter and Saturn

A. Pakhomova, K. Skrzyńska, B. Journaux, I. Collings, G. Tobie, A. Kurnosov, O. Bollengier and E. Le Menn

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Minerals on Titan: the crystal structure of diacetylene

L. Lopes Cavalcante, H. Maynard-Casely, M. Cable, S. Duyker, E. Fayolle, R. Hodyss, B. Kennedy, T. Vu and C. Ennis

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A new terrestrial Ti³⁺-rich oxide with a novel crystal structure

M. Stachowicz and A. Pieczka

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Structure of ferrosilite and pentlandite from inclusions in the Muong Nong tektites from Laos

M. Klementová, L. Palatinus, J. Maňák, S. Křížová and R. Skála

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A new kristiansenite-like mineral from post-magmatic mineralization in the Szklarska Poręba granite?

S. Zelek-Pogudz, K. Mil, B. Gołębiowska, A. Pieczka, K. M. Stadnicka and R. Kristiansen

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Imaging of alteration and degradation processes in 13th–20th century works of art by MA-XRPD and related methods

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Geoscience for cultural heritage: challenges and innovative methods

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Betatron radiation compact sources: tapping opportunities in cultural heritage and life sciences

M. Gaboardi, M. Anania, A. Biagioni, G. Costa, L. Crincoli, M. Del Giorno, M. Ferrario, F. Galdenzi, M. Galletti, S. Lauciani, A. Liedl, V. Lollo, F. Villa, A. Cianchi and F. Stellato

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Terpene based co-crystals for protection from biodeteriogens in archives and libraries

A. Ienco, A. Guerriero, E. Palagnano, C. Santini, F. Ieri, G. Cencetti, D. Bonetti, L. Della Maggiora, A. Crisci, F. Menicucci, A. Sidoti, P. P. Mazzeo and A. Bacchi

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Some of the recent history of quantum crystallography

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Dynamic quantum crystallography: principles, latest developments and applications

A. Hoser, H. Butkiewicz and A. Ø. Madsen

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Investigation of the anharmonic atomic motion in molecular crystals using the GFN2-XTB molecular dynamics approach

M. Patzer and C. W. Lehmann

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Reconstruction of polarization and correlation effect in molecular crystals through the lens of one-electron reduced density matrix

S. Yu and J.-M. Gillet

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Insights into atomic bonding from dynamic multipole refinement of three-dimensional electron diffraction data

A. Suresh, P. Brázda, M. Cabaj, H. Chintakindi and L. Palatinus

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Combining single-crystal diffuse scattering and ab initio molecular dynamics simulations to understand framework dynamics in AlPO₄-5

E. M. Schmidt and M. Fischer

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Local structure studies using neutrons and X-rays augmented with theory

M. J. Gutmann, G. L. Pascut, K. Wang, B. Monserrat, S.-W. Kim and M. Krzystyniak

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Local structure and dynamics in MPt(CN)₆ Prussian blue analogues

E. A. Harbourne, H. Barker, Q. Guéroult, J. Cattermull, L. A. V. Nagle-Cocco, N. Roth, J. S. O. Evans, D. A. Keen and A. L. Goodwin

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'Correlated disorder' is not disorder and can change lattice energies by >2.5 kcal mol⁻¹

J. van de Streek

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Direct derivation of the atomic displacement parameters with molecular dynamics simulations

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Aperiodic crystallography from three-dimensional electron diffraction using kinematic and dynamic approaches

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Aperiodic order and complex superstructures from simple algebraic rules

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Structural chirality and functionality in incommensurate modulated tetragonal tungsten bronzes

O. Grendal, C. R. Zeiger, R. S. Dragland, R. Sjøkvist, R. Beanland, D. Meier and M. Senn

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Three refinement approaches to a description of a (3+1)D incommensurately modulated organic zwitterion dihydrate

I. A. Guzei, K. M. Sanders, V. Petříček, S. Bruffy and A. F. Buller

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Theoretical study of magnetism in Cd₆Tb 1/1 periodic cubic approximant of a Tsai-type quasicrystal

G. Kuderowicz and I. Buganski

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Probing atomic scale structures and at electrochemical interfaces using in situ X-ray diffraction

Y. Grunder, Y. Joly, Y. Soldo-Olivier, P. Thompson and C. A. Lucas

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Towards quantitative evaluation of grazing-incidence X-ray diffraction data

F. Gasser, S. John, J. Smets, J. Simmbrunner, M. Fratschko, R. Ameloot, H.-G. Steinrück and R. Resel

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XRD study of thin films of Y-type hexaferrites prepared by chemical solution deposition

R. Kužel, M. Dopita, L. Horák and J. Buršík

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Structure determination by low-energy electron diffraction – a roadmap to the future

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Application and challenge on characterization of thin crystalline organic material structures with electron diffraction

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Coupling X-ray diffuse scattering and spectroscopy to explore the local structure of hollandites

M. Morana, E. M. Schimdt and G. O. Lepore

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Determining short- and long-range aluminium ordering in zeolite structures

P. Rzepka, K. Mlekodaj and J. A. van Bokhoven

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Lack of long-range order in 'relaxor' ferroelectric NH₄Zn(HCOO)₃: diffuse and inelastic scattering study

J. M. Bulled, A. Minelli, A. Korshunov and A. Bosak

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Investigating trimeron dynamics and lattice instabilities in magnetite

B. M. D. Fahl and A. Simonov

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Local distortions and orbital disorder in Ce_0.5Ba_0.5MnO₃ as seen by neutron PDF

E. R. Arnold, M. Senn and N. Funnell

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X-ray diffuse scattering at high pressures

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Resolving fast relative kinetics of inorganic materials from in situ studies

B. Mullens, J. Ferrari, B. Sanchez Monserrate, J. Ajello and K. Chapman

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High pressure phase transition in groutite, MnO(OH)

R. Gajda, A. Huć, P. Rejnhardt, J. Parafiniuk, P. Fertey and K. Woźniak

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Uncovering stacking disorder in the Weyl semimetal TaRhTe₄

F. Eder, B. Stöger, E. Giannini and F. O. von Rohr

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Exploring structural disorder in natural and synthetic pyrochlores through single-crystal X-ray diffuse scattering

G. O. Lepore, M. Morana, A. Taddei, S. Margheri and E. Schmidt

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Tuning the local structure of isoreticular porous materials

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Nanocrystalline organic compounds: structure determination by a global fit to the pair-distribution function

M. U. Schmidt, R. Hühn and J. Elsaß

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The polymorph myth dispelled: true forms of oxytetracycline hydrochloride

M. Pęczek, H. Butkiewicz, T. Bizoń, D. Trzybiński, M. Malińska, A. Ø. Madsen and A. A. Hoser

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Searching for the hidden phases of Fe^II metal–organic SCO frameworks

E. Trzop, R. G. Torres-Ramirez, F. J. Valverde-Muñoz, E. Collet, M. C. Muñoz, D. Zhang and J. A. Real

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'Hydrogenation–disordering of structure' correlations for Ni/Co-based nanomaterials

I. Zavaliy, A. Katsya, Yu. Verbovytskyy, K. Vlad and V. Berezovets

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Controlling the superionic transition temperature through anion substitution in CuCrX2 (X = S, Se, Te)

M. T. Rahman, N. Holzapfel, V. Augustyn and A. Zevalkink

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Non-covalent interactions in silver(I) mixed-ligand complexes

T. K. Theunissen, V. La Gorcé, C. Esterhuysen and S. A. Bourne

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A journey into the complex world of fampridine salts

R. Montis, L. Fusaro and N. Tumanov

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Structure and coordination chemistry of some aminopyrazoles, 1,3-diazocanes, and fused dipyrazoloheterocycles

L. N. Dawe, D. Joekar, K. Brown, L. Lobulo, D. Graham, K. Stephens, P. D. Boyle and K. Maly

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Supramolecular approaches to functional cocrystal design

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Desmotropy, polymorphism and packing relationships of 5-monosubstituted derivatives of barbituric acid

T. Gelbrich, D. E. Braun and U. J. Griesser

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Calixarene-based multicomponent crystals: solvent selectivity, conformational dynamics and supramolecular assembly

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Harnessing the structural diversity of multicomponent crystals: strategies from synthesis to functional properties

M. Lopresti, A. Mirocki, L. Palin, M. Milanesio and A. Sikorski

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Trimesic acid as a highly efficient scaffold for trapping essential oil terpenoids

A. Daolio, P. Pelagatti, A. Bacchi and P. P. Mazzeo

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Al-Fe B2 as a model for studying defects and long-range order in the AlCoCrFeNi multicomponent systems

L. Meshi and G. Hillel

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The potential of microwaves and mechanochemistry in obtaining novel multicomponent forms of theophylline with benzene-1,2,4,5-tetracarboxylic acid as a coformer

M. Gołdyn, E. Bartoszak-Adamska, W. Nowak and O. Grupa

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Design and characterization of multicomponent forms of miconazole: structural, biological and solubility studies

A. Ben and L. Chęcińska

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Informatics meets energetics: combining crystal structure prediction and knowledge of the crystal landscape

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High-Z′ phases of n-butanol

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Structural characterization and colour of CaMg_0.5Co_xNi_0.5−xP₂O₇ (0.0 ≤ x ≤ 0.5) compositions

M. A. Tena, M. S. M. Abdelbaky, C. Trobajo and S. Garcia-Granda

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Chiral symmetry breaking in molecular crystals: emergence of isostructurality and tailored chirality

A. Andotra, C. Killalea, C. Zuffa, F. Malagreca, P. Pandey, L. Maini, V. Lemaur, M. Surin, R. Resel and Y. Geerts

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Algorithms of symmetry measurement

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From structure to reactivity: quantum crystallography in organometallic chemistry

F. Meurer, G. Riesinger, F. Kleemiss and M. Bodensteiner

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β-turns, peptides, peptoids and CO⋯CO interactions

C. Tedesco, F. Damiani, G. Pierri, N. D'Arminio, A. Marabotti, F. De Riccardis and I. Izzo

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Synthesis of heterometallic rare earth–zinc aryloxido complexes for catalytic applications

A. Kowaliński and R. Petrus

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Linear dichroism and polarized photoluminescence in single crystals of Pt-containing NCN-pincer compound

V. Stsiapura, V. V. Syamala, R. Kaminski and K. N. Jarzembska

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Effect of phosphoryl group on a molecular structure: rethinking resonance-assisted hydrogen bonds in P-containing systems

A. Pietrzak and W. M. Wolf

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Impact of coformer substitution on the formation and polymorphism of pharmaceutical cocrystals

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Spatial and temporal visualization of polymorphic transformations in pharmaceutical tablets

J. Gasol-Cardona, M. R. Ward, O. Gutowski, J. Drnec, C. Jandl, D. Stam, A. G. P. Maloney, D. Markl, S. W. T. Price and I. D. H. Oswald

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Influence of sulfur⋯oxygen, π⋯π/C—H⋯π and other intermolecular interactions on molecular switching of the NO₂ ligand in polymorphic forms of a nickel(II) complex

K. Potempa, A. Krówczyński, K. A. Deresz, D. Schaniel and K. N. Jarzembska

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Exploring non-covalent interactions in simple binary adducts by a combination of DSC and variable-temperature powder and single-crystal X-ray diffraction

J. K. Cockroft and J. C. Bear

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Atomic-level mechanism underlying elastic flexibility of coordination polymer crystals

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Experimentally exploring the polymorphism of ROY through high-throughput crystallisation

M. R. Probert, J. Weatherston and M. J. Hall

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Discovery of new polymorphs of metal–organic frameworks via mechanochemical screening

I. Brekalo, K. Lisac, J. R. Ramirez, P. Pongrac, S. Valić, A. Puškarić, Y. Zhu, M. Ferguson, J. M. Marrett, M. Arhangelskis, T. Friščić and K. T. Holman

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Triethylphosphine: a 'molecular gear' enabling single-crystal-to-single-crystal phase transitions

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Fascinating polymorphism in lapachol powders

N. Méndez and L. Suescun

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Three new polymorphs of glyphosate under extreme conditions

C. Hu, C. J. G. Wilson, N. Giordano, N. P. Funnell, C. J. Ridley and S. Parsons

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Mechanochemical reactivity of halogen-bonded materials: computational prediction of reaction outcome and spectroscopic monitoring

M. Arhangelskis, L. Kumar, S. G. Dash, F. Topić, M. Ferguson, C. B. Lennox, P. A. Julien, K. Leko, D. Trzybiński, N. Bregović, D. Cinčić, T. H. Borchers and T. Friščić

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Pushing the limits: evolving twin–screw extrusion for next-generation mechanochemical processing

C. D. Webster, A. F. Giglio and D. E. Crawford

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Potential of mechanochemistry in the preparation of novel multicomponent supramolecular systems containing praziquantel

M. R. Gołdyn, V. André, D. Larowska-Zarych, M. T. Duarte and A. R. Stefankiewicz

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Analysis of individual nanocrystals in phase mixtures by 3D electron diffraction

C. Jandl, J. Markelbach, L. Samperisi, G. Steinfeld, G. Santiso-Quinones and D. Stam

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Co-crystals on stage: time resolved in situ monitoring of multicomponent mechanochemical reactions

A. Bacchi, A. Daolio, P. P. Mazzeo, M. Prencipe and R. M. Sundermann

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Metal–organic frameworks: crystallographic explorations of porosity and functionality

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Azolate coordination networks for adsorptive purification of light hydrocarbons

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Complementary tools for in situ analysis of porous materials – some perspectives

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Unique gas adsorption properties of the first porous ionic packings (PIPs)

N. Malherbe, J. Wang, G. Esser, T. Steenhaut and Y. Filinchuk

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Three-dimensional electron diffraction and in situ activation of metal–organic frameworks

C. S. Sangster, J. P. Tidey, M. Snellgrove, A. Fletcher, G. Craig and S. Parsons

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Exploring nucleation pathways across diverse physicochemical environments: unveiling new strategies to modulate and optimize biomolecular crystallization

H. Brognaro, S. Gevorgyan, M. Wang and Ch. Betzel

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Microfluidics and photonics for the study of crystalline nucleation: probing beyond conventional spatiotemporal barriers

I. Rodríguez Ruiz and S. Teychené

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Beauty and complexity of calcium carbonate precipitation: optical microscopy and in situ Raman microspectroscopy characterization

N. Barbosa, T. Khakhula, J. Brazard and T. B. M. Adachi

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Back to morphology: streamlined modelling of crystal growth from solutions

Y. Vaksler, F. Ngono Mebenga, C. Xiouras and P. Fernandes

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Diffusion-controlled crystallization inspired by biomineralization, and its bioapplications

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Artificial intelligence in crystallography: navigating big data challenges

D. W. M. Hofmann

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PhAI: neural network for structure determination

A. S. Larsen, T. Rekis, P. Hans and A. Ø. Madsen

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Detecting symmetry groups in crystallographic tilings

B. Naskrecki, P. Balewski, M. Janicki, J. Kubiak, J. Lorenz, J. Malinowski and D. Brzeziński

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Deep learning for smart sample alignment

A. V. Luebben and J. Luebben

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What I learned about structure from artificial intelligence

S. J. L. Billinge

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Using long-wavelength X-ray diffraction to localise light atoms in macromolecular crystals

R. Duman, K. El Omari, C. Orr, V. Mykhaylyk and A. Wagner

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Many faces of SAXS – new SAXS beamline (SMAUG) for materials science and biocrystallography at SOLARIS National Synchrotron Radiation Centre

M. Kozak, J. Sławek, F. Sobczuk, T. Kołdziej, A. Klonecka, M. Brzyski, M. Taube, D. Wojciechowska and E. Banachowicz

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Neutron diffraction observed in the Earth's gravity field

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MicroMAX – a beamline with time-resolved macromolecular crystallography capabilities at the MAX IV Laboratory

D. Lang, M. Bjelčić, M. Milas, M. Chenchiliyan, C. M. Casadei, O. Aurelius, I. Gorgisyan, A. E. Jagudin, M. Eguiraun, A. Nardella, E. Panepucci, M. Malmgren, S. Kapetanaki, A. Gonzalez, J. Nan and T. Ursby

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Challenges and solutions for MX on beamline P11 at PETRA III

G. Pompidor, S. D. Chatziefthymiou, A. Gruzinovr, O. Merkulova and J. Hakanpää

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Structural dynamics in Prussian blue-based cathodes for ion batteries

M. Li, M. Maisuradze, M. Gaboardi, J. R. Plaisier and M. Giorgetti

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Advancing crystallography with high-pressure single-crystal diffraction techniques

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Development of in situ X-ray diffraction techniques for characterization of stimuli-induced dynamics in MOFs

V. Bon, K. Papadopoulos, J. Weiß, A. Khadiev and S. Kaskel

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Three-faceted in situ setup for characterizing spinel high entropy oxides of 3d transition metal

J. Edelvang-Pejrup, A. Kirsch, M. Arenz and K. M. Ø. Jensen

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Real-time observation of ultra-rapid densification and degradation in flash sintered monolithic all-solid-state batteries

R. Fukada, T. Fabre, E. R. Gonçalves, P. Chater, R. Bouchet, M. C. Steil, C. V. Colin and M. Diaz-Lopez

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Direct imaging of beam-sensitive inorganic materials using 2D and 4D scanning transmission electron microscopy

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Accessing the phonon dispersion of nanostructures via grazing-incidence inelastic X-ray scattering spectroscopy

V. G. Hinojosa, I. Mediavilla, K. Adham, Y. Zhao, M. T. Borgström, L. Wirtz, A. H. Romero, A. Bosak, J. Serrano and D. A. Chaney

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Combined µXRD and µXRF mapping of hierarchical materials – atomic structure, crystallographic texture and chemical mapping over large areas

M. R. V. Jørgensen, F. H. Gjørup, Y. Li, I. Kantor and T. E. K. Christensen

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Structure of a DNA-stabilized Ag₁₆Cl₂ nanocluster in solution

A. F. Sapnik, G. Romolini, C. Cerretani, T. Vosch and K. M. Ø. Jensen

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Chemical bonding as a structure and property directing motif in functional materials

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Advancing structure solution of organic compounds: strategies for tackling XRPD challenges

A. Altomare, C. Cuocci and M. De Feudis

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Exploring high-throughput synchrotron X-ray powder diffraction for the characterization of pharmaceuticals

M. Reinle-Schmitt, R. Widmer, Th. Stoll and F. Gozzo

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Solving structures from powders using intermolecular distances

J. Rohlíček, J. Brus and V. Eigner

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Complementarity of PXRD and ssNMR in structure solution of meloxicam multicomponent crystals

P. Nowak, A. Jeziorna, M. Oszajca, P. Paluch and M. K. Dudek

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Matching powder patterns to crystal structures with AutoFIDEL

A. G. P. Maloney, N. F. Francia and J. Nyman

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High-pressure synthesis and diffraction studies on functional materials using in situ X-ray and neutron diffraction

K. Friese and A. Grzechnik

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Hydrogen storage in hydrogen hydrates at high pressure

T. Poręba, L. Andriambariarijaona, M. Rescigno, R. Gaal and L. Bove

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Compressing secondary arsenic⋯halogen bonds: high-pressure X-ray diffraction study of As₂O₃ intercalation compounds

P. A. Guńka, S. Milos, M. Ende, F. Alabarse, R. Miletich and K. F. Dziubek

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High-pressure study of the charge density wave evolution in SmNiC₂

A. Eich, A. A. Haghighirad, A. von Ungern-Sternberg Schwark, M. von Westarp, G. Garbarino, M. Le Tacon, M. Merz and S.-M. Souliou

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Symmetrization of strong hydrogen bond under high pressure in bihydroxide-ion-containing NaCu₂(SO₄)₂·H₃O₂ revealed by experimental charge density and single-crystal electron and neutron diffraction study

P. Rejnhardt, R. Gajda, M. Woińska, J. Parafiniuk, G. Giester, R. Miletich, Y. Wu, T. Poręba, M. Mezouar, S. Sutuła, T. Góral, P. Dera and K. Woźniak

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Giant piezochromic shift in square-planar Rh^I complexes: reversible red-to-NIR optical switching under pressure

V. Vijayakumar-Syamala, K. Potempa, K. P. Korona, L. Bosman, D. Paliwoda, R. Kamiński, A. Brink and K. N. Jarzembska

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Experimental charge densities of organic nanocrystals from 3D electron diffraction

A. Kumar, A. Suresh, A. Lanza, J. Wojciechowski, D. Trzybiński, L. Palatinus and P. M. Dominiak

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Reporting 3D ED structures made easier: the changes in the core CIF dictionary to allow consistent, correct and complete reporting of 3D ED structure refinements

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Reproducible electron diffraction simulations: bridging Bloch wave and multislice simulations with abTEM

M. K. Cabaj, P. B. Klar, J. Madsen, M. Kaur, T. Susi and L. Palatinus

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Characterising particle-to-crystal transitions: analytical approaches and implications for 3DED

G. L. Mangan and A. A. Stewart

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Electron pair distribution function analysis in the scanning TEM for probing nanoscale heterogeneity in amorphous and crystalline polymers and metal–organic frameworks

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Ultrafast pair distribution function as a probe of hidden states in quantum materials

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Benchmarking the 3D-ΔPDF using in-house X-ray sources

K. O. R. Juul, K. A. H. Støckler and B. B. Iversen

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Local structure of ammonia borane described using PDF method

A. Piekara and W. Sławiński

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ePDF mapping: a new tool for nanometre scale analysis of amorphous materials

P. P. Das, A. Gomez-Perez, E. Grivas, S. Nicolopoulos, S. J. L. Billinge, A. S. Galanis, E. F. Rauch, J. Portillo and M. J. Fransen

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GruPol: a database-driven framework for predicting biomolecular electrostatic and optoelectronic properties

A. Krawczuk and R. F. Ligorio

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Quantum crystallographic refinements from machine learning – performance and speed benchmarks

F. Kleemiss, L. M. Seifert and D. Bruex

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Program for automatic checking of crystal structure solution results based on comparison with DFT calculation results

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DiSCaMB – a package for exploring quantum crystallography

M. L. Chodkiewicz, P. M. Dominiak and K. Woźniak

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Convergence study of a gradient-descent algorithm for Bloch amplitude refinement under the kinematic approximation

A. Chatziagapiou and K. Bethanis

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Computational organic crystal structure prediction, an evolving challenge?

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Predicting crystal form stability under real-world conditions

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Exploring the crystal energy landscapes of polycyclic aromatic hydrocarbons via crystal structure prediction and Monte Carlo threshold algorithm

P. Juan-Royo and G. M. Day

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Investigating the role of solvents in metal–organic frameworks with molecular dynamic simulations

Y. Xu, K. Lisac, M. Ferguson, K. T. Holman, T. Friščić, M. Arhangelskis and I. Brekalo

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Anharmonic effects in molecular crystals using quasiparticle theory

E. J. Blancas, N. Vides and A. Otero-de-la-Roza

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Comparing crystal structures: isostructurality

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Quantitative crystal structure comparison using powder diffractograms

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Powder-diffraction-based structural comparison for crystal structure prediction under pressure

A. Otero-de-la-Roza

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Are crystal structures getting better? A statistical analysis of the Cambridge Structural Database

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Growth functions of periodic space tessellations

B. Naskręcki, J. Malinowski, Z. Dauter and M. Jaskólski

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Trying, failing and sometimes succeeding: one researcher's journey through funding applications

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Drafting a successful proposal for state-of-the-art experiments at large-scale and medium-range research infrastructures

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How to… find your niche in a few steps

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GEMS: revealing the hidden treasure of the European crystallographic community

H. Butkiewicz, W. Clegg, K. Dziubek, A. Guerri, J. Helliwell, I. Madura, C. Massera, M. Morana and M. Pisačić

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How do I publish my paper?

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Ethical publishing of crystallographic papers

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Tackling the challenge of unpublished structures

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Raw data and external links in the Crystallography Open Database

A. Zeleckytė, A. Merkys, A. Vaitkus and S. Gražulis

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Back to (data) basics – how crystallographic databases can help solve new structures

N. T. Johnson, S. B. Wiggin, C. A. Tovee, P. I. Andrews and M. P. Lightfoot

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Jumping the hurdles: challenges in calculating thermal expansion coefficients from the data in the Cambridge Structural Database

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Hands-on learning activities for chemical crystallography students derived from data and tools provided by the Cambridge Crystallographic Data centre

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Rigid groups, model restraints, elusive H atoms… practical examples of using CSD entries to help with difficult structures

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Towards a double verified (experimental + DFT) reference structure database

M. Hušák and F. Fňukal

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Online learning with the Cambridge Structural Database (CSD)

I. Gimondi, A. J. Peel, Y. Olatunji-Ojo and S. C. Ward

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Fourier goggles: on! Rediscovering crystallography through the beauty of frequences

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Crystallography and Crystallization MOOC: empowering secondary school teachers through online learning

P. García-Orduña, A. Martin Alonso, P. Gómez-Sal, B. Bazán, T. Calvet, J. M. Garcia Ruiz, V. López-Acevedo, S. López Andrés, J. Pasán and E. Pérez Carreño

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Post-Covid extension of an online crystallography school

M. Meyer, J. Ferrara, R. Bücker, M. Del Campo, L. Daniels, C. Göb, E. Buchsteiner, P. Le Maguerès, H. Puschmann, C. Schürmann, K.-N. Truong, J. Wojciechowski and F. White

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Insights into the community-driven effort behind organizing accessible national crystallography courses by the Polish Young Crystallographers

D. M. Tchoń and P. Rejnhardt

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Identifying and modelling low-occupancy states in macromolecular crystallography with Xtrapol8

E. De Zitter, N. Coquelle, P. Oeser, T. R. M. Barends and J.-P. Colletier

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Protein dynamics revealed by tuning relative humidity

S. Guenther, P. Y. A. Reinke, M. Galchenkova, S. Falke, P. Fischer, S. T. Veedu, J. Meyer, M. Barthelmess and A. Meents

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Update from VMXi – room-temperature MX beamline at Diamond Light Source, UK

J. Sandy, M. Lambert, H. Mikolajek, J. Sanchez-Weatherby, A. J. Thompson and M. A. Hough

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Crystallography in motion: new sample delivery for time-resolved serial crystallography at Diamond and XFELs

P. Aller, J. Sanchez-Weatherby, M. Hough, R. L. Owen and A. M. Orville

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Structural biology with neutron macromolecular diffractometer at ESS

S. Aggarwal, J. Bergmann, A. Finke, D. Lundström, A. Gonzalez and E. Oksanen

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Development of a flip-type fixed-target sample holder for synchrotron serial crystallography

D.-T. Jeong, C. Eo and S.-Y. Park

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Innovations and enhancements in the upcoming CCP4 Release 10

V. Uski, C. Ballard, M. Fando, R. Keegan, E. Krissinel, A. Lebedev, D. Waterman and J. Wills

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pyDiSCaMB: enabling the use of multipolar scattering factors in Phenix

V. J. Femoen, L. Pacoste, D. Liebschner, P. Afonine, B. Poon, M. Chodkiewicz, P. Dominiak and X. Zou

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Introducing Instruct Image Processing Center (I2PC), a cryoEM image processing facility of the Spanish Instruct Center (Instruct-ES)

M. Gragera, D. Herreros, R. Melero, C. O. S. Sorzano and J. M. Carazo

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Fast and furious factors: reduced redundancy in DiSCaMB

Ł. Golon, M. L. Chodkiewicz and P. M. Dominiak

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Graphical interfaces for structure model refinement: integration of Servalcat and MetalCoord in CCP4i2 and CCP-EM Doppio

M. Malý, K. Yamashita, K. H. Babai, F. Long, M. Wojdyr, S. McNicholas, P. Bond, T. Burnley, C. M. Palmer, A. P. Joseph and G. N. Murshudov

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Structural study of the chromatin remodelling complex RSC in Candida albicans

R. Dupeyron, L. Belot, C. Sayou, F. Weis, E. Zarkadas, S. Kieffer-Jaquinod, J. Novion Ducassou, A. Adrait, Y. Couté, J. Govin and C. Petosa

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Hit-to-lead development of inhibitors of the Chikungunya virus nsP3 macrodomain using crystallographic fragment screening

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CryoEM structures of the immunodominant chlamydial antigen major outer membrane protein (MOMP) and its complex with a conformational neutralizing monoclonal antibody

Y. Guo, M. L. Shelby, P. D'haeseleer, S. Pal, A. Slepenkin, B. V. Robinson, Z. Otwinowski, B. Segelke, M. A. Coleman, D. Borek and L. M. de la Maza

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When signaling goes astray: understanding MAP2K1 mutations in neurodevelopmental disorders

P. Havlickova, A. Koutska, I. Kuta Smatanova and M. Fenckova

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Microdialysis device to set up kinetic crystallography experiments

A. Bonnardel, P. Jacquet, B. Franzetti, A. Royant, J. Dupuy and E. Girard

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Structure, function and regulation of NAD kinases

G. Labesse, M. Gelin, C. Mary, E. Donnier, P. Praharaj, M. H. Soflaee, G. Hoxhaj and C. Lionne

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Deciphering the mechanism of action of essential mycobacterial 4′-phosphopantetheinyl transferases

S. Gavalda, A. Faille, S. Fioccola, M. Brut, L. Mourey and J.-D. Pedelacq

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Structural and functional studies of novel Ntn-amidohydrolases for potential antileukemic applications

J. Loch, A. Sciuk, M. Kilichowska, I. Pierog, A. Zielezinski and M. Jaskolski

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Structural characterization of substrate complexes of Class 3 L-asparaginase

K. Pokrywka, M. Grzechowiak, J. Sliwiak, P. Worsztynowicz, J. Loch, M. Gilski and M. Jaskolski

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Multi-level protein dynamics orchestrates S-adenosyl-L-homocysteine hydrolase catalysis

K. Brzezinski, K. Wozniak, P. H. Malecki, M. Gawel and M. Stepniewska

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N-glycosylation-driven dimerization: finding the sweet spot in myeloperoxidase biosynthesis

U. Leitgeb, P. Furtmüller, I. Fegerl and V. Pfanzagl

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Structural study of methylenetetrahydrofolate reductase from Pseudomonas aeruginosa

K. Woźniak, P. H. Małecki, M. Stępniewska, D. Borek and K. Brzeziński

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Structural insights into the active site of Escherichia coli type III L-asparaginase: a site-directed mutagenesis approach

M. Kilichowska, A. Zieleziński, M. Jaskólski and J. Loch

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Is it worth crystallizing phosphatases in the age of AI-based structural modeling?

K. Kurpiewska and J. Sławek

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Structural insights into allosteric regulation and conformational dynamics of ACE2 in catalysis and SARS-CoV-2 binding

P. Giastas, O. Kupreienko, N. Alevizopoulos, M. A. Balachouti, D. Georgiadis, A. Argyriou, G. Spyroulias and M. Zouridakis

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Ultrahigh-resolution crystal structure of Class 3 L-asparaginase

M. Gilski, M. Grzechowiak and M. Jaskolski

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How kinases bind their pharmacological inhibitors via the hinge motif

U. Derewenda, S. Scheiner and Z. S. Derewenda

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Cross-linked lipase crystals for the microfluidic detection of orlistat at nanomolar concentration

P. Moya-Garrido, I. Rodríguez-Ruiz, S. Martínez-Rodríguez and J. A. Gavira

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Designing PROTACs against enteroviral 2A protease via cereblon E3 ligase recruitment

B. Kaščáková, H. El Kiliani, H. Durmaz, R. K. Akula, K. Rox, R. Hilgenfeld and I. Kutá Smatanová

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Selective inhibition of carbonic anhydrase IX for cancer diagnosis and therapy

L. H. Ngô, J. Brynda, K. Pospíšilová and P. Řezáčová

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Regulation of retinal membrane guanylate cyclase 1 (RetGC 1) by guanylate cyclase activating protein 1 (GCAP1)

N. Kumar and H. Fernandes

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Polybasic PPII helix-based NC interface and divergent G-domain features support an alternative septin filament architecture in the single septin of Chlamydomonas reinhardtii

D. A. Leonardo, B. Marquez, E. Condori, A. P. A. Pinto, R. C. Garratt and A. P. U. Araujo

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Targeting alpha-L-iduronidase against mucopolysaccharidosis type I

R. Rizzi, M. G. E. Papadopoulos, G. F. Mangiatordi, G. Bonapace, L. Taglietti, B. La Ferla, M. Pitaro and D. Concolino

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Kinetic screening using grating-coupled interferometry (GCI) – highly sensitive biosensor-based assays enable the identification of weak fragment hits across a diverse set of challenging targets

M. Janczuk-Richter, E. A. FitzGerald, D. Cederfeldt, B. A. Lund, T. Pesnot, N. Markova, U. H. Danielson and K. Cottier

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VMXi, a fully automated in situ beamline: towards large-scale crystallographic fragment screening at room temperature

M. Lambert, A. Thompson, H. Mikolajek, J. Sanchez-Weatherby, J. Sandy and M. Hough

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New binders of the cancer-linked enzyme PYCR1 identified via XFS

D. Czerwonka, W. Ragin-Oh, L. H. Tran and M. Ruszkowski

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Development of fragment-based workflows that enable rapid and cost-effective discovery of drug-like protein–protein interaction modulators targeting the neuronal calcium sensor 1

D. Muñoz-Reyes, W. Thompson, D. Fearon, K. Fieseler, E. Capkin, M. Ferla, M. Winokan, M. Golding, S. Pérez-Suárez, C. Miró-Rodríguez, L. Arguado, A. Mansilla, F. von Delft and M. J. Sánchez-Barrena

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Exploring ternary copper coordination compounds interacting with DNA as a promising anticancer and antibacterial drug

I. Kekez, K. Mišković Špoljarić, D. Vušak, M. Belas, D. Kučera-Čavara and B. Prugovečki

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Building a FAIR repository for fragment-based screening campaigns

G. L. Evans, A. Tanweer, J. Tolchard, D. Harrus, P. Choudhary, J. Flemming and S. Velankar

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Targeting epigenetics: structure-guided design of histone demethylase inhibitors for cancer therapy

P. Z. Borysiuk, J. Śliwiak, T. Krojer, A. Link, L. Shulig, M. Małecka and P. H. Małecki

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In silico evaluation of cyclic dipeptides targeting cancer-associated GPCRs

S. Jafari, P. Söderhjelm, J. Bojarska and W. Wolf

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The search for FGE stabilizing molecules: from fragment screen hits to potential lead(s)

J. L. Kowal, N. Ezzaidi, J. Wollenhaupt, K. Radhakrishnan, T. Pietrowski, M. Löwen, M. Thangarasah, H. J. Horstmeier, E. Baum, W. Keller, S. Alam, M. S. Weiss, M. G. J. Baud and H. H. Niemann

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Electron diffraction of Stenotrophomonas maltophilia nuclease SmNuc1

T. Skálová, P. Brázda, K. Adámková and J. Dohnálek

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CryoEM and ED are driving structural studies at the University of Warsaw

T. Góral, S. Sutuła and K. Woźniak

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Enhanced cryogenic cooling for imaging of large samples by X-ray microscopy

C. Wood, A. Moayedi, T. Renshaw, M. C. Kokkinidou, J. Shaxted, A. Renshaw, L. Pajdzik, A. Hodgson and A. L. Klyszejko

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Adding cryoEM to the palette of structural biology techniques at SOLEIL

E. Larquet, H. Soufari, A. Thompson and P. Legrand

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Synergistic insights from crystallographic and microcalorimetric studies in solution: a case of R. etli asparaginases

J. Sliwiak, M. Grzechowiak, K. Pokrywka, P. Worsztynowicz, M. Ruszkowski, M. Gilski and M. Jaskolski

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Structural elucidation and biophysical characterization of retinol binding protein 3

L. Gessa, N. Kumar, V. Kaushik and H. Fernandes

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Structure of DC11 Fab fragment specific for the pre-aggregation conformation of intrinsically disordered protein tau

O. Cehlar, S. Njemoga, A. Polak, R. Skrabana, V. Volko, J. Hritz, P. Kaderavek and B. Kovacech

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A score and nine years of irbesartan

F. Fadaei-Tirani, P. Ochsenbein, M. Bonin, M.-H. Lemée, J. Kieffer, D. Görl, M. El-Hajji and K. Schenk-Joß

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Unusual planar anisotropy of the induced magnetism in KTb₃F₁₀

O. Demortier, S. Petit, B. Fauqué, E. Ressouche, I. Kibalin, J. Robert, S. Sibille, B. Roessli, C. Colin, A. Ivanov, O. Fabelo, T. Fennell, D. Hrabovsky, B. Leridon, F. Le Berre, J. Lhoste and F. Damay

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Subtle changes leading to massive consequences: a case study of two isostructural cocrystals exhibiting negative linear compressibility (NLC)

E. Patyk-Kaźmierczak and M. Kaźmierczak

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Implementing electric field-stimulated X-ray crystallography on EMBL P14 T-REXX using Hadamard time-resolved X-ray crystallography

M. Klureza, J. Estengre Pérez, E. Römer, Y. Pulnova, C. Gaman, F. Tellkamp, J. Leimkohl, M. Kollewe, M. Nikolova, H. Schikora, G. Beddard, G. Bourenkov, D. von Stetten, D. Hekstra, B. Yorke and A. Pearson

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Structural and optical properties of benzotriazole-based 2D hybrid perovskites

P. La Magna, E. Garip, I. P. Machado, A. M. Kaczmarek, C. R. Göb, W. T. M. Van Gompel and K. Van Hecke

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Structural phase transition and intrinsic optical properties of a hybrid (Pip)₂[KBiBr₆]; luminescence and DFT calculations

M. N. Rowińska, O. Korolevych, A. Kabański, D. Stefańska, T. J. Bednarchuk, A. Piecha-Bisiorek and A. Gągor

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X-ray diffraction investigation of structure of gold nanorods and metal oxide nanoparticles for theranostic applications

G. Opiła, M. Kasprzyk, A. Pietrzyk, J. Przewoźnik, E. Gumieniczek-Chłopek, A. Karewicz, J. Dulińska-Litewka, S. Rumian, S. Zapotoczny and Cz. Kapusta

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Cocrystals of 1,8-diacetylpyrene with TCNB: their relative stability, mechanical and photoluminescent properties

J. Krzeszczakowska and A. Makal

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Solubility and permeability studies of novel co-crystals of selected flavonoids

K. Gibuła, A. Zep, A. Rosa, A. Ciesielski, A. Sadocha, M. K. Cyrański and M. Zezula

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New high-entropy ceramics carbides (HECCs) based on Nb, Ti, Zr and Hf

M. K. Krawczyk, R. Konieczny, D. Podsiadła, R. Idczak, P. Sobota and W. Nowak

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Pressure-induced structural changes and their impact on the properties of alkyl-substituted perylene diimides

P. Ratajczyk, S. Sobczak, M. Andrzejewski, P. Woźny, L. Maini and A. Katrusiak

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Orthorhombic symmetry and anisotropic properties of rutile TiO₂

N. Gonzalez Szwacki, P. Fabrykiewicz, I. Sosnowska, F. Fauth, E. Suard and R. Przeniosło

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Why nanoparticle bulk matters: vacancies shape morphology, morphology affects electrochemical and optical properties

I. Smirnov, Z. Kaszkur, M. Chaudhary, H.-C. Weissker, R. Ferrando, S. Zoladek and P. Kulesza

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Superhard ceramic material from B₄C and TiSi₂ powders

A. Ivanushko and R. Gladyshevskii

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Development and optimization of the UPLC-UV method for determination of chemical purity and assay of selected genistein co-crystals

A. Rosa, K. Gibuła, A. Ciesielski, A. Sadocha, M. K. Cyrański, A. Zep and M. Zezula

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Unveiling excitonic insulator signatures in Ta₂NiSe₅ through structural and orbital probes

N. Maryatta, P. Nagel, F. Ghorbani, A. Ghiami, S. Pakhira, M. Ye, B. Wehinger, F. Abbruciati, G. Garbarino, M. LeTacon, S. Schuppler, A. A. Haghighirad and M. Merz

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Mn-based NASICON: correlation between synthesis method, morphology and conductivity

L. Chayal, S. El Arni, M. Saadi, A. Assani, L. Bih, J. Ma and M. Hadouchi

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Crystal structure and hydrogenation properties of the MgNi₂B₆ ternary compound

N. Pavlyuk, A. Bondaruk, D. Kulawik, W. Ciesielski and V. Pavlyuk

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Influence of cation substitution on the compressibility of Ca perovskites

T. Boffa Balaran, K. Kularatne and R. G. Trønnes

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Mapping of the thermal mechanical properties of dicyanometallates

A. J. Corkett, A. Grzechnik and K. Friese

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Hidden broken symmetries and magnetic behaviour of the nickelate series Pr_2−xCa_xNiO_4+δ (δ >> 0, δ ≃ 0)

J. S. Mangat and M. S. Senn

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The relation of anisotropic peak broadening with lattice symmetry in powder diffraction

P. Fabrykiewicz

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Electron diffraction studies of an elastic molecular crystal

S. Dey, M. Jarošová, V. Eigner and L. Palatinus

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Influence of lattice defects on the high-pressure elastic properties of Ni_0.66Mn_2.33O₄ NTC materials

J. Darul and P. Piszora

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Synthesis and structural studies of novel solvates and cocrystals of genistein

A. Zep, K. Gibuła, A. Rosa, K. Pruszkowska, A. Ciesielski, A. Sadocha, M. K. Cyrański and M. Zezula

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Investigating carbon dioxide sorption properties of two isostructural Co^II and Zn^II mixed-ligand metal–organic frameworks containing imide-based ligands

E. Batisai and L. Mbonzhe

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Periodic trends of stereochemical activity of lone electron pairs: comparison between two models

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Linking crystal structure to thermal transport in filled β-Mn-type chalcogenides

O. Cherniushok, T. Parashchuk, R. Cardoso-Gil, Y. Grin and K. T. Wojciechowski

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From structure to solubility: crystal surface insights into pharmaceutical cocrystals

E. Zmeškalová, F. Stara, T. Havlûjová and M. Šooš

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Development of stable Cu-based argyrodites for highly efficient energy conversion

S. Sharma, O. Cherniushok, T. Parashchuk, J. Tobola and K. T. Wojciechowski

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Structure–property relationships in Fe–Ge intermetallics: spotlight on Nowotny chimney ladders

I. Lukashchuk, O. Cherniushok, T. Parashchuk, K. Pryga, B. Wiendlocha, J. Toboła, A. Zevalkink, Y. Grin and K. T. Wojciechowski

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Evaluating the effect of crystal structure on thermoelectric performance of promising Cu₂FeSnS_xSe_4−x diamond-like materials for sustainable applications

H. Donyk, T. Parashchuk, O. Cherniushok, D. Wieczorek, O. Smitiukh, O. Marchuk, B. Wiendlocha and K. T. Wojciechowski

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Linear correlation between ¹H NMR chemical shift and absorption maximum in quadrupolar centrosymmetric dyes

B. Szymański, R. Kamiński and K. N. Jarembska

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Molecular heterometallic clusters enable precise integration of mixed-metal centers into metal–organic frameworks

C. López-García, A. A. Skorynina, F. Esteban-Betegón, J. Pérez-Carvajal, M. Iglesias, M. A. Monge, E. Gutiérrez-Puebla and F. Gándara

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Dynamic molecular crystals for organic optoelectronics

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Multi-stimuli responsiveness in pyrene-based purely organic dyad crystals

A. Barman, A. Huć, S. Techert and K. Basuroy

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Design and synthesis of bifunctional cobalt-based single-molecular magnets

J. Kamlah, P. Stark, N. Graw, R. Herbst-Irmer, A. Krawczuk and D. Stalke

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The structural features of 4-(1H-benzimidazol-2-yl)-1-phenyl-1H-1,2,3-triazol-5-amine halogen derivatives

V. Dyakonenko, A. Shaposhnyk and S. Shishkina

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Structure and electronic properties of morpholinium halide double perovskites: a lead-free hybrid series

T. J. Bednarchuk, M. N. Rowińska, O. Korolevych and A. Gągor

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Kick starting the Scandinavian Crystallography Service

K. E. Christensen and L. Krause

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Structural description, correction to the formula and thermal analysis of a heterobimetallic coordination polymer based on phthalic acid

A. Benkanoun, H. Kherfi and F. Balegroune

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Unexpected shielding effect of the BF₄⁻ counter-ions in the X-ray absorption spectrum of crystals of an Fe^II metallogrid complex

J. J. Velazquez-Garcia, S. S. Nair Lalithambika, S. A. Salem, E. Otero, J. Wong, S. Demeshko, F. Meyer, S. Kulkarni and S. Techert

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Synthesis, structural and chemical physical characterizations of new hybrid superconductors

H. Ben Attia, M. S. M. Abdelbaky, S. García-Granda and M. Dammak

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Advancing mullite-based ceramics for solid oxide fuel cells and electrolysis cells

A. Chakir, B. Mehdaoui and A. El Bouari

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Emerging rare earth perovskite nanostructures for energy conversion

B. Dirrouch, H. Jebari, M. Y. Messous, H. Zalrhi, M. Regragui, H. Ez-Zahraouy, M. Abdlefdil and L. Atourki

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Structural insights into NaDCC solvates with glymes and crown ethers: snapshot-driven structural design of novel solid polymer electrolytes

M. Fabiański, L. García, I. Aldalur, E. Sánchez-Diez and M. Dranka

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Structural reconstruction of a cobalt based metal–organic framework during the electrochemical hydrogen evolution reaction

V. Vishwakarma, N. Diyali, A. R. Choudhury and B. Biswas

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Can planar defects explain the ordering phenomena in the low-temperature phase of MAPbCl₃?

G. Schuck, D. M. Többens and S. Schorr

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Holistic approach for estimating lattice thermal conductivity in diamond-like materials

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Effect of substitutions in Fe/Ni/Sb skutterudite-type phases on thermoelectric properties

P. Sicher and O. Oeckler

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Size dependence of the photo-induced phase transition in Ti₃O₅ nanocrystals

R. Mandal, C. Mariette and M. Lorenc

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Study of structural changes induced by light soaking in mixed-halide perovskites

M. Dopita, V. Holý, L. Horák, P. Machovec, J. Holovský and N. Neykova

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Quaternary representative of the Cr₂AlC-type structure in the Ti–Al–Ga–C system

A. Broda, N. Klymentiy, S. Pukas, R. Cardoso-Gil, Yu. Grin and R. Gladyshevskii

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The first ternary sodium zincides/cadmides: syntheses and crystal structures of Na₈(Cd_1−xZn_x)₁₇ (x = 0.124) and Na₄₇(Cd_1−xZn_x)₁₀₂ (x = 0.088)

I. Junker, K. Köhler and C. Röhr

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Crystal structure of La₆Mg_23+xSn_1−x compound

V. Kordan, N. Pavlyuk, V. Milashius, I. Tarasiuk, O. Zelinska, G. Dmitriv and V. Pavlyuk

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Structure, bonding and properties of Sc intermetallics with transition metals and gallium

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Preliminary results on the new ternary intermetallic compound Cu₅(As,Sb)₂ in the Cu–As–Sb system

M. Mödlinger, A. Provino, P. Solokha, S. De Negri, F. Caglieris, C. Bernini and P. Manfrinetti

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Ternary EuMg_5+x-type structures: challenges in refining channel occupancies

M. Otteny, K. Köhler, M. Wendorff and C. Röhr

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Phase equilibria in the Gd–Al–Ge system at 873 K

S. Pukas and R. Gladyshevskii

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New horizons in studying intermetallics through solid-state diffusion and 3D ED:the Au–Mg system

P. Solokha, G. Steciuk, M. Wyss, E. Bieler and S. De Negri

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Crystal structure and hydrogen sorption properties of the intermetallic RY₂Ni_9−xM_x phases (R = La, Pr, Nd; M = Cu, Co, Fe, Mn; x = 0, 1, 2)

Yu. Verbovitskyy, V. Berezovets, V. Oprysk and I. Zavaliy

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Characteristics of the interaction between components in the RGe₂ – R′Ge₂ cross sections

Z. Shpyrka, O. Darmonuk and V. Pavlyuk

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Interplay between crystal structure and magnetism in Tb₂CoGe₂ upon hydrogenation

N. Saidov, K. Miliyanchuk, S. Mašková-Černa, L. Havela and R. Gladyshevskii

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Pb₄Sr₁₄Fe₂₃O₅₂: its complex crystal structure finally solved thanks to 3D ED

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Quantitative and qualitative analyses of symmetry independent C—F⋯F—C interaction and C—H⋯F—C hydrogen bonds in a biologically potent isoquinoline derivative: insights from charge density analysis

Sakshi, Y. Gupta, A. R. Choudhury and P. Munshi

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MATTS2025: machine learning-enhanced expansion of the MATTS data bank for small-molecule electron density modeling

P. M. Rybicka, V. M. Ignat'ev, M. Kulik and P. M. Dominiak

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Unveiling the invisible: energetic insights into supramolecular architectures of amino-substituted aromatics

I. S. Konovalova

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Hirshfeld atom refinement for polymeric structures: a study on MOFs and COFs

M. Woińska, A. Makal, P. Grzymski-Ostręga, M. L. Chodkiewicz and K. Woźniak

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iSFAC modelling: experimental quantification of partial charges with electron diffraction

T. Gruene, S. Mahmoudi and C. Schroeder

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Modulated structure of the composite (Ca,Yb)_0.83CuO₂

O. Zaremba, V. Lesnianska, L. Akselrud and R. Gladyshevskii

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Finding crystal orientation in uniplanar textures

J. Simbrunner, F. Gasser, S. John and R. Resel

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Structural and magnetic characterization of magnetic multi-layered Fe–Ga thin films for applications in magnetic sensor devices

C. Durniak, S. Foster and D. Bulla

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Biofunctionalization of dental surfaces: towards obtaining antimicrobial yet biocompatible orthodontic archwires

A. Adawy, M. T. Andres, M. Mauvezin-Quevedo and F. de Carlos Villafranca

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X-ray absorption spectroscopy implementation on a laboratory X-ray powder diffractometer

M. Gateshki, Ch. Zarkadas, G. Nénert, L. Ding, D. Beckers and H. Hussain

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Masterful sample grilling – next starts

M. Adam, C. Lenczyk and T. Stürzer

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Influence of yttrium on changes in the structure of amorphous metal alloys of the Al₈₇(Y,Gd)₅(Ni,Fe)₈ system due to short-term annealing

Kh. Khruschchyk, P. Swiec, Yu. Kulyk, M. Karolus and L. Boichyshyn

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Diffuse scattering in sanidines

C. Wiggers, E. M. Schmidt and D. A. Chaney

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Non-nucleic acid four-stranded helix formed by the antiviral vidarabine 5′-monophosphate

O. Kaszubowski and K. Ślepokura

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The formation of organic structures through the analysis of concomitant polymorphs using quantum chemical methods

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From intrinsic octameric clusters to wires and tapes – the diversity of water structures stabilized by unclosed cryptands

K. Dąbrowa and M. Ceborska

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The impact of reaction conditions in the co-crystallization of modified isoniazid compounds

M. G. Smith and A. Lemmerer

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Supramolecular confinement of antibacterial agent within macrocyclic hosts: a structural study

O. Danylyuk and K. Kravets

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Crown ether-cation/π interactions – crystallographic and computational perspective

K. A. Ćeranić, M. M. Petković and D. P. Malenov

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Exploring endohedral and exohedral weak interactions of pillarplex-based nanotubes

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Charge density analysis of halogen bonding with heavy pnictogen acceptors: experimental and computational insights

L. Kumar, S. G. Dash, K. Rachuy, R. Herbst-Irmer, D. Stalke and M. Arhangelskis

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Conformational folding of alexidine and pentamidine molecules within the bowl-shaped cavity of p-sulfonatocalix[4]arene

K. Kravets, M. Kravets and O. Danylyuk

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Quantum chemical analysis of intermolecular interactions in a muricatacin polymorph

M. Bogdanović, B. Srećo Zelenović, S. Stanisavljević, M. Popsavin, V. Popsavin, G. Reiss and M. Rodić

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Bridging the gap: investigating pharmaceutical hydrates through solution spectroscopy

B. Vella and K. Edkins

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Chirality matters: crowded macrocycles as tectons for inclusion systems

A. Czapik, N. Prusinowska and M. Kwit

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Enhancing the physicochemical properties of antidepressant drugs through cucurbituril complexation

N. Jakubik, E. Zaorska and M. Malinska

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Heterobimetallic Mn^II/Al^III chalcogenides: model systems for mixed-valent ferrates(II/III)

C. Röhr and M. Schwarz

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Synthesis and solid-state NMR-driven crystal structure determination of the first co-drug of valproic acid and L-carnitine

F. Bravetti, S. Bordignon, A. Gallo, M. U. Schmidt, R. Gobetto and M. R. Chierotti

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Obtaining and structural studies of ectoine cocrystals with selected anions

A. Sadocha, M. K. Cyrański and A. Ciesielski

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Structural studies of urea clathrates with long aliphatic amines

A. Ciesielski, A. Sadocha, I. Turowska-Tyrk and M. K. Cyrański

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The design and synthesis of ternary multi-component crystals through sublimation

M. C. Scheepers and D. A. Haynes

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Beyond visual inspection: evaluating imperfect symmetry in crystals

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Structural and magnetic chirality in NiCo₂TeO₆

R. Scatena, N. Qureshi, A. Vibhakar, K. Beauvois, A. Bombardi, F. Carneiro, C. J. Won and S.-W. Cheong

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Isothiouronium salt at the borderline of disorder and solid solution of polymorphs

V. Eigner, L. Žofáková and M. Hušák

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Multiscale reciprocal space mapping of mesocrystals

A. Bosak, A. Chumakova and E. Sturm

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pgtrainer: a classroom tool and 3D models for teaching point group symmetry

N. Trapp, M. Solar and M. Wörle

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Crystallographic insights into multi-component pharmaceutical solids

L. S. de Moraes, J. Najorka, A. J. Surman and A. R. Kennedy

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Complexes of magnesium sulfate with formamide

K. Mihaylova, G. Velyanova and K. Kossev

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The origin of biological homochirality: asymmetry between RNA enantiomers in a crystal lattice

A. Kiliszek and W. Rypniewski

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Nornicotine enantiomers and their salts – crystallographic cases on the way to the synthesis and enantioseparation of pure (S)-nicotine

B. Miroslaw, N. Trotsko, R. Jasiński, M. Długosz, M. Sadczuk and O. M. Demchuk

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Halogen bonds as promoters of isostructurality in crystal structures of novel aminoflavone derivatives

B. Wicher, S. Sysak, W. Szczołko and E. Tykarska

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Synthesis, characterization and biological evaluation of a tyrosinase inhibitor with antimelanoma potential

E. Pindelska, M. Majka, H. Naklicka and I. Madura

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Gold in the +II oxidation state: a quantum and resonant crystallographic characterisation

A. Hinterberger, F. Meurer and M. Bodensteiner

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Varied-temperature and high-pressure investigations of tris(pentafluorophenyl)borane

J. Dorna, A. Katrusiak and S. Sobczak

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C—Br⋯Br interactions in various derivatives of benzenes and naphthalenes

M. Książek, P. Kuś and J. Kusz

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Structural variability of dimeric copper(II) salicylate(2−) complexes

M. Lištiak, R. Varga and J. Moncol'

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Crystal structures of selected cathinones

M. Książek, P. Kuś, J. Kusz and M. Rojkiewicz

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Synthesis and physicochemical properties of novel Schiff base ligands composed of 2-(diphenylphosphino)benzaldehyde and 3- or 4-nitrophenylhydrazine

M. Z. Zorić, M. M. Radanović, T. Rüffer and G. N. Kaluđerović

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Novel copper(I) chloride π,σ-coordination compounds based on 3-(pyridin-2-yl)-5-allylsulfanyl-4H-1,2,4-triazoles

D. Dmytriv, Yu. Slyvka, E. Goreshnik and N. Pokhodylo

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Synthesis and crystal structure of two new Ag^I complexes with 3-(1-pyrazolyl)-L-alanine

P. Thomashausen, D. Triska, M. G. Bogdanović, G. N. Kaluđerović and M. M. Radanović

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Annamycin – structural chemistry and nanoparticle delivery system

M. Ziemniak, M. Mielecki, J. Gubernator, R. Borowski, K. Woźniak, M. Olejniczak and B. Pająk-Tarnacka

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Coordination mode preferences of 1,2,3-triazoles: monodentate versus bidentate

P. Le Garff, R. Jalmakhanbetova, R. M. Losus, W. Dehaen and L. Dobrzańska

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Crystal structures of reaction products of 2-cyanothiazole with gold(III) compounds

M. Ejnik, A. Ciborska, L. Ponikiewski and A. Dołęga

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A one-dimensional coordination polymer with a pseudo face-centred monoclinic lattice: structural and intermolecular insights

H. Kherfi and M. Hamadène

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4-Selenazolidinones: tautomerism and stereoisomerism in the solid state

A. Pyrih, R. Lesyk, M. Jaskolski and A. Gzella

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Unusual donor properties of nitrile groups in cyanothiazoles: insights from X-ray crystallography and DFT of organic molecules and their Ag^I complexes

K. Gutmańska, K. Szaciłowski and A. Dołęga

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The magic of the guanidine 2-azabicycloalkane derivatives

M. Shyshkina, M. Daszkiewicz, E. Wojaczyńska and K. Kluba

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Halogen bond triad: three individual N⋯I halogen bonds in one cocrystal

S. van Terwingen

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Phase transitions in ferroelectric layered CPA₂PbCl₄: a multifunctional hybrid perovskite

M. Mączka, J. K. Zaręba, A. Gągor, K. Fedoruk-Piskorska, D. Stefańska, D. Drozdowski, M. Ptak and A. Sieradzki

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Behaviour of magnetite mesocrystals at high temperature

A. Chumakova, A. Bosak and E. Sturm

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Mechanism of isostructural phase transition in isobutane under high pressure

N. Sacharczuk, B. Kuleczka, A. Olejniczak, A. Katrusiak and M. Podsiadło

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Structural and conformational analysis of dimethyl, diethyl and dipropyl sulfides under high pressure

N. Sacharczuk, A. Olejniczak, A. Katrusiak, V. Lavin and M. Podsiadło

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Conformational transformations in ruthenocene and osmocene coupled to the CH⋯Ru and CH⋯Os bonds

I. Moszczyńska, M. Szafrański and A. Katrusiak

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High-temperature phase transition in a 1:1 co-crystal of butyl p-hydroxybenzoate:isonicotinamide

M. R. J. Elsegood, C. Li, H. Yang and J. P. Orton

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Metastability in carbon nano-bowls for sustainable thermal storage: a playground for studying molecular cooperativity in soft matter

M. Gaboardi, B. Braunewell, V. Di Lisio, D. Cangialosi, J. Siegel and F. Fernandez-Alonso

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Variable temperature diffraction and polymorph screening with the XtaLAB Synergy-ED

E. Buchsteiner, K.-N. Truong, R. Bücker, C. Göb, C. Schürmann, J. Wojciechowski, M. Jasnowski, M. Meyer and F. White

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Piezo-solvatomorphism of iHOF – a porous hydrogen bond-assisted ionic organic framework

G. Russ, T. Holczbauer, S. De, P. Bombicz, A. Katrusiak and S. Sobczak

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Polymorphism of fenamic acids and their salts

M. S. Krawczyk and I. Majerz

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Serendipitous discovery of a new polymorph of L-serine

A. Skórska-Stania, Sz. Grabowski and M. Gryl

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Phase transitions in pyridazine-based high-nitrogen-content compounds

A. Olejniczak, A. Katrusiak, M. Podsiadło and A. Katrusiak

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Structure and phase transition of ferroelectric quinuclidinium copper(II) bromide

D. A. Kowalska, A. Ciżman, M. Gusowski, M. Trzebiatowska and E. Jach

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Two polymorphs of MgClO₄·6urea

G. Velyanova and K. Kossev

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Hydrogen bonds and F⋯F contacts in pentafluorobenzene at high pressure

M. Rusek and A. Katrusiak

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From model compounds to complex reality: structural accuracy as a foundation for property prediction

H. Butkiewicz, M. Pęczek, T. Bizoń, D. Trzybiński, M. Malińska, A. Ø. Madsen and A. A. Hoser

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Liquid pressure-transmitting media inhibit pressure-induced dehydration and subsequent crystallisation of amorphous calcium carbonate

C. Morita, H. Kobayashi and H. Kagi

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The reinvestigation of the Li–Zn binary system

V. Pavlyuk, H. Ehrenberg, I. Oshchapovskyy and S. Lidin

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Form VI of piracetam, the predicted yet elusive phase

M. E. Nowak, A. Lanza, A. Ø. Madsen, M. Malinska, K. Syty, M. Modrzejewski and A. A. Hoser

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Investigation of the crystallization behavior of propylammonium salts derived from (RS)- and (S)-chlocyphos

A. Leborgne, G. Gabode and A. Hoser

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Structural studies of zero-dimensional perovskite guanidinium iodobismuthate(III)

D. Stojkovski and M. Szafrański

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Crystal structure determination of two polymorphs of 1,3-diethylurea from X-ray powder data

G. Gbabode, A. Addaou, C.-L. Stephan and I. B. Rietveld

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New co-crystals of piracetam with carboxylic acids: synthesis and structural studies

I. Bruchmann and L. Mazur

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Structural elucidation of mechanochemically synthesized reticular materials: the key role of 3D electron diffraction

D. Marchetti, E. Dalcanale, M. Gemmi, A. Pedrini and C. Massera

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Insights on new gas sorbents from in situ X-ray scattering and density functional theory

A. J. Allen, E. Cockayne, W. Wong-Ng, J. Ilavsky and I. Kuzmenko

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Transformability of CALF-20 metal–organic framework: theoretical and experimental insights

J. Drwęska, F. Formalik, K. Roztocki, R. Q. Snurr, L. J. Barbour and A. M. Janiak

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In situ investigation of water harvesting by CAU-10-OH MOF: a two-step process

G. Nénert, M. Gateshki, J. Gertenbach, D. Rega and M. van der Veen

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Analysis of COF-300 synthesis: probing degradation processes and 3D electron diffraction structure

L. Bourda, S. Bhandary, S. Ito, S. Bhandary, C. R. Göb, P. Van Der Voort and K. Van Hecke

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Mapping the phase space of disordered lanthanide MOFs with simulation as a compass

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Exploration of intrinsic dynamicity in zinc metal–organic framework catalyst

X. Jia, C. Ren and L. Van Meervelt

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A new Co-substituted aluminophosphate (AlPO) with MO₅ units: high-temperature framework modifications by in situ single-crystal X-ray diffraction

J. Bongni, L. Šarić and G. Cametti

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Tunable surface charge in two-dimensional MOFs via interlayer functionalization

C. Ren, X. Jia and L. Van Meervelt

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Host–guest chemistry of helical copper(I) coordination polymers

E. Ganczar, W. Bury, P. Gawryszewska, V. Kinzhybalo and A. Białońska

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Hydrogen bond donating large pore MOFs for catalysis

C. M. L. Vande Velde and L. Esrafili-Dizaji

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Beyond static profiles: stretched NMF for phase-resolved analysis of MOFs via variable-temperature and pressure PXRD

F. Ballerini, J. Halloran, V. Colombo and S. J. L. Billinge

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Exploring the crystalline sponge method for the analysis of polyhedral boranes

M. Kloda, I. Klenorová and M. Litecká

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Design and crystallization of cyclodextrin metal–organic frameworks using template-directed synthesis

K. Krūkle-Bērziņa and S. Belyakov

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The nucleating agents, crystallophores, to boost your crystal production

E. Girard, A. Roux, N. Gillet and O. Maury

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Using phase diagrams with microseeding to prepare crystal samples for advanced data collection techniques

P. D. Shaw Stewart, S. A. Kolek, J. Stubbs and P. F. M. Baldock

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Diffusion-controlled crystallization of calcium phosphate using a dual-diffusion system

C. M. Heo, J. H. Yang and S. H. Yang

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Crystallization of calcite and vaterite in hydrogel-based diffusion system

K. M. Jeong, Y. S. Shin and S. H. Yang

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Dynamic theory of protein crystallization

J. Hašek, T. Skálová, T. Koval, P. Kolenko, J. Dušková, K. Adámková and J. Dohnálek

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Exploring electric fields towards enhanced control of protein crystallization

F. Castro, R. Pereira, I. Gomes, A. Soares and J. A. Teixeira

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Integrating structure solution by deep learning in Olex2

P. Hans, A. S. Larsen and A. Ø. Madsen

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The CryoStream concept – a generous gift to our community

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Integrating data sources in CCP4 Cloud: a complete online platform for structure determination

J. Wills, A. Lebedev, M. Fando, V. Uski, C. Ballard, R. Keegan and E. Krissinel

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Demonstration of hard X-ray self-seeded XFEL with high brightness and stability for serial femtosecond crystallography

S. Park and S. J. Lee

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The solvothermal formation mechanism of Pd-containing bimetals

A. B. Borup, M. Kløve, A. D. Bertelsen and B. B. Iversen

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In situ X-ray scattering study of VO₂ formation from VOSO₄ precursor under solvothermal conditions

V. A. Kaznelson, A. B. Borup, A. D. Bertelsen, M. K. Kjær and B. B. Iversen

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In situ powder X-ray diffraction for the investigation of phase transitions and structural changes by the use of novel X-ray diffraction equipment

B. Puhr, M. Kremer and P. Hurtado

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Comparative analysis of photoswitching properties of analogous nickel(II) and palladium(II) nitrite complexes in the solid state

K. Paszczyk, K. Jarzembska, R. Kamiński, K. Deresz, A. Krówczyński and D. Schaniel

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In situ SAXS/WAXS coupled with UV–Vis spectroscopy for the time-resolved investigation of nucleation and growth of lead halide perovskite nanocrystals

N. Dengo, F. Bertolotti, D. N. Dirin, S. C. Boehme, M. Kotyrba, P. Rikard, M. V. Kovalenko, A. Cervellino, N. Masciocchi and A. Guagliardi

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Degradation of a Pt-based medium entropy alloy catalyst – an operando X-ray scattering study

S. Punke, T. Kunzmann, N. Schlegel, R. K. Pittkowski, K. M. Ø. Jensen and M. Arenz

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Time-resolved structural amorphisation of LaMO₃ perovskites by acid leaching

E. Solé Chaos, G. B. Strapasson, A. Sanz Arjona and K. M. Ø. Jensen

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Time-resolved diffraction crystallization study of a porous Ti carboxylate MOF and its water-induced formate structure

I. Dovgaliuk, B. Chen, A. Melillo, M. Wahiduzzaman, A. Khadiev, D. Novikov, B. Achenbach, N. Ruser, J. Gosch, G. Maurin, N. Stock, G. Mouchaham and C. Serre

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Unravelling cation ordering in Sn₂SbS₂I₃

D. M. Többens, J. Breternitz, Y. Tomm, D. G. Porter, A. Nicolson and S. Schorr

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The breathing box: improving X-ray diffraction data through adaptive 3D profile fitting

L. C. Folkers and P. Celani

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Structural investigation of biogenic and synthetic calcium phosphate nanoparticles

O. Prymak, K. Kostka, K. Loza and M. Epple

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Hardware in synergy: the new PhotonJetMAX-S and UG3

M. Meyer, D. Kucharczyk, J. Blaszczak, C. Göb, C. Schürmann, K.-N. Truong, J. Wojciechowski, J. Ferrara and F. White

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Synergy between STEM imaging and 3D electron diffraction in crystallography

S. Kodjikian, A. Raynal, C. Lepoittevin and F. D. Romero

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Investigation of the local structure of boron carbide (B₁₃C₂)

A. Piekara and W. Sławiński

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Latest advancements in laboratory powder XRD instrumentation from Anton Paar

P. Hurtado, B. Puhr, B. Schrode, T. Faske and F. Gürer

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Behaviour of the variscite-1O polytype of AlPO₄·2H₂O under non-ambient conditions

X. He, H. Kagi, K. Komatsu, G. Giester, S. Huang, H. Kobayashi, S. Miloš, H. S. Effeberger, S. Nakano, X. Wu and R. Miletich

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X-ray structural analysis of unique polymorph of acetylene gold(I) phosphine under variable temperature and pressure conditions

A. Prężyna, A. Zwolenik and A. Makal

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Pressure-induced changes in the structural properties of potassium-based Prussian blue analogues

L. Janus and H. L. B. Boström

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Organic cocrystal as a platform for simultaneous investigation of different high-pressure phenomena – a case study of 1,2-bis(4-pyridyl)ethane and diphenic acid cocrystal

M. Kaźmierczak and E. Patyk-Kaźmierczak

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High-pressure crystal structure of n-hexylamine

B. Kuleczka, N. Sacharczuk, A. Olejniczak and M. Podsiadło

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Influence of high pressure on the crystal structure of quinine catalyst

S. De, S. Sobczak, P. Ratajczyk, N. Sacharczuk, T. Soós, P. Bombicz, A. Katrusiak and T. Holczbauer

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Pressure effects in a charge-transfer complex p-benzoquinone:resorcinol

S. Batmanghelich, M. Rusek and A. Katrusiak

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High-pressure investigation of a cocrystal based on 4,4′-vinylenedipyridine and diphenic acid

F. Cheriya Purayil and E. Patyk-Kaźmierczak

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Cocrystal of 4,4′-azopyridine and diphenic acid: synthesis and high-pressure investigation

S. S. Busigara and E. Patyk-Kaźmierczak

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Discovery of a new high-pressure phase of posaconazole

B. Fetah, D. Markl, C. Doherty and I. D. H. Oswald

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Investigation of anomalous compressibility and thermal expansion of a copper(II) coordination polymer

P. Grzymski-Ostręga and A. Makal

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Nanobeam 4D STEM with MerlinEM: at the intersection between crystallography and microscopy

G. Mangan and M. Krajňák

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Single-crystal electron diffraction studies at a core facility

S. Sutuła, T. Góral and K. Woźniak

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Generalizing Instamatic data collection framework for electron crystallography

D. M. Tchoń, S. Smeets and L. Palatinus

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From soil to structure: electron diffraction reveals crystalline compounds in roots' exudates and their environment

K. Št'astná and T. Gruene

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Scaling and thickness optimization in dynamic refinement of 3D ED data using cubic spline interpolation

H. Chintakindi and L. Palatinus

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Three-dimensional electron diffraction for 2D material structure analysis

G. Antyfanti, D. Convertino, C. Coletti and M. Gemmi

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Enhancing crystal detection for serialED on lacey grids

A. Vypritskaia, T. Yang and X. Zou

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COSEDA: an open-source pipeline for continuous serial electron diffraction data analysis

P. Hager, G. Hofer, L. Wang, L. Pacoste, B. Blomberg, A. Vypritskaia, A. Fonjallaz and X. Zou

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It's PDF, Jim, but not as we know it…

M. T. Wharmby, M. Evans, T. Stuerzer and C. Lenczyk

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PDF 'feat' solid-state NMR: a combined approach for crystal structure determination of organic compounds

F. Bravetti, C. Rosso, M. R. Chierotti and M. U. Schmidt

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Identifying mistakes in cocrystal structures

S. Chalupná and M. Hušák

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Normal modes refinement (NoMoRe) for accurate anisotropic displacement parameters in high pressure SC-XRD measurements

L. Cieszyński, A. Hoser and A. Makal

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Benchmarking computational methods for crystal structure prediction using experimental enantiomer excess and precipitation data

N. Vides, E. J. Blancas, J. A. Montero-García, J. M. Costa-Fernandez, V. del Amo, C. Concellón and A. Otero-de-la-Roza

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Predicting structures and properties of magnetic metal–organic frameworks (MOFs) by crystal structure prediction

B. Bramantya, J. P. Darby, J. Dorrell, A. J. Morris and M. Arhangelskis

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Describing polarization in hybrid ab initio/empirical force-field models for crystal structure prediction

B. I. Tan, D. H. Bowskill, A. Keates, C. C. Pantelides and C. S. Adjiman

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Dual substrate specificity of rutinosidase from Aspergillus niger studied on acylated quercetin glucopyranosides

K. Brodsky, L. Petraskova, M. Kuty, P. Bojarova, H. Pelantova and V. Kren

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…Action!

K. Dziubek, A. Guerri and C. Massera

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Modeling and refinement of metal coordination environments with MetalCoord

K. H. Babai, F. Long, M. Maly, K. Yamashita and G. N. Murshudov

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The improvements of polymer representation in the COD using quotient graphs

Y. Rozdobudko, A. Merkys, A. Vaitkus and S. Gražulis

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Twenty years of FEBS practical crystallization courses at the University of South Bohemia

I. Kutá Smatanová

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Advances in cryo-electron microscopy (cryoEM) and X-ray crystallography for structure-based drug discovery

P. Rubach, A. Wlodawer and W. Minor

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Cell wall anchoring mechanisms in archaeal S-layer proteins

L. Bursic, C. Grininger, C. Buhlheller, T. Sagmeister, N. Gubensäk and T. Pavkov-Keller

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Two novel Cu^II complexes with tetraimine 2,6-diacetylpyridine derivatives – synthesis, characterization and crystal structure

D. Triska, P. Thomashausen, N. D. Radnović, M. S. Regojević, G. N. Kaluđerović and M. M. Radanović

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Advances

Recently published Advances articles are given below.

Direct derivation of anisotropic atomic displacement parameters from molecular dynamics simulations in extended solids with substitutional disorder using a neural network potential Y. Hinuma (2025). Acta Cryst. A81, 279-293.

Updating direct methods III. Reduction of structural complexity when first-rank semi-invariants are estimated via the Patterson map C. Giacovazzo (2025). Acta Cryst. A81, 269-278.

Benchmarking 3D-ΔPDF analysis using in-house X-ray sources K. O. R. Juul, K. A. H. Støckler & B. B. Iversen (2025). Acta Cryst. A81, 254-268.

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