X-ray dynamical diffraction wavefront division interferometer (double-slit diffraction) with an asymmetric monochromator. Corrigendum An error in the article by Mkrtchyan et al. [Acta Cryst. (2025), A81, 438–448] is corrected.

Vahram Mkrtchyan et al.: X-ray dynamical diffraction wavefront division interferometer (double-slit diffraction) with an asymmetric monochromator. Corrigendum #XRayMonochromator #XRayDoubleSlitExperiment ... #IUCr https://journals.iucr.org/paper?S2053273326002287

Revisiting Becker–Coppens (1974): updated recipes for estimating extinction factors in spherical crystallites A technical update of the Becker–Coppens [Acta Cryst. (1974), A30, 129–147] recipe for estimating extinction factors in spherical crystallites or grains is provided, addressing limitations in scenarios with higher Bragg angles or stronger extinction effects, as well as providing improved precision in general. The work utilizes modern computing capabilities and improved recipes are provided for easy community adoption.

Thomas Kittelmann et al.: Revisiting Becker–Coppens (1974): updated recipes for estimating extinction factors in spherical crystallites #Extinction #BraggDiffraction #NeutronScattering ... #IUCr https://journals.iucr.org/paper?S2053273326001245

It's all in the group The Cayley graph of a crystallographic group, although depending only on intrinsic information from the group, often allows the derivation of interesting combinatorial and geometric properties of crystal structures on which the group acts [Baburin (2026). Acta Cryst. A82, 18–31].

Bernd Souvignier: It's all in the group #CrystallographicGroupsGroupPresentationsCayleyGraphsCycles ... #IUCr https://journals.iucr.org/paper?S2053273326002068

P3, linearizing unit-cell parameters P3 is a linearized description of unit-cell parameters, created from the usual lengths and angles of the unit cell. It provides a useful metric for comparing unit cells and a convenient base for displaying and comparing unit cells.

Andrews and Bernstein: P3, linearizing unit-cell parameters #Lattice #UnitCell #PolarCoordinates ... #IUCr https://journals.iucr.org/paper?S2053273326000410

Quasicrystals from the edge: extreme environments, impact craters and the quest in other celestial bodies Natural quasicrystals from the Khatyrka meteorite reveal that hypervelocity impacts can generate and preserve quasiperiodic phases under extreme non-equilibrium conditions. Their occurrence highlights the role of quasicrystals as robust markers of shock processes, offering new insights into the collisional and chemical evolution of planetary bodies.

Luca Bindi: Quasicrystals from the edge: extreme environments, impact craters and the quest in other celestial bodies #Quasicrystal #Icosahedrite #Decagonite @UNI_FIRENZE...#IUCr https://journals.iucr.org/paper?S2053273325011003

Primitive icosahedral quasicrystals in ZnMgLi(Dy, Ho, Er, Tm) systems The study introduces new primitive icosahedral quasicrystals in Zn–Mg–Li–(Dy, Ho, Er, Tm) systems. Quasicrystals are studied with an X-ray diffraction technique resolving the local atomic structure.

Ireneusz Buganski et al.: Primitive icosahedral quasicrystals in ZnMgLi(Dy, Ho, Er, Tm) systems #Quasicrystals #CrystalGrowth #BergmanPhase @TohokuUniPR...#IUCr https://journals.iucr.org/paper?S205327332501099X

Symmetry structures of tilings on a Klein bottle This study presents a comprehensive characterization of the symmetry structures of tilings on a Klein bottle, arising from tilings of the Euclidean plane with crystallographic symmetry groups containing a subgroup of type pg.

M​a. Louise Antonette De Las Peñas et al.: Symmetry structures of tilings on a Klein bottle #PlaneGroupDiagram #Tiling #SymmetryGroup ... #IUCr https://journals.iucr.org/paper?S2053273326000045

International Tables for Crystallography, Volume I, X-ray absorption spectroscopy and related techniques. Edited by C. T. Chantler, F. Boscherini and B. Bunker. Wiley, 2024, Hardcover, Pp. XIV+1074, price EUR 395.50. Hardcover: ISBN 978-1-119-43394-1.

James Penner-Hahn: International Tables for Crystallography, Volume I, X-ray absorption spectroscopy and related techniques. Edited by C. T. Chantler, F. Boscherini and B. Bunker. ... #IUCr https://journals.iucr.org/paper?S2053273325011337

Structural investigation and C60 adsorption on the (100) surface of a 1/1 pseudo-Tsai-type Au–Si–Ho quasicrystalline approximant The decoration of cluster centers, while not modifying the surface plane selection rule established for Tsai-type quasicrystals and approximants, affects the superstructure type stabilized at the surface.

Wilfried Bajoun Mbajoun et al.: Structural investigation and C60 adsorption on the (100) surface of a 1/1 pseudo-Tsai-type Au–Si–Ho quasicrystalline approximant #Quasicrystals #Approximants #Surface ... #IUCr https://journals.iucr.org/paper?S2053273325011040

Exploring oxide quasicrystals in internal space The internal space expansion with variable system size is investigated for three different oxide quasicrystal systems. Patches of 7800, 4800 and 3600 vertices are examined in Ba–Ti–O/Pt(111), Eu–Ti–O/Pd(111) and Sr–Ti–O/Pd(111), respectively. This internal space inspection provides unique structural information for quasicrystalline systems, which goes far beyond a tiling analysis in the physical space.

Sebastian Schenk et al.: Exploring oxide quasicrystals in internal space #TilingAnalysis #PhasonElasticConstant #PerpendicularSpace ... #IUCr https://journals.iucr.org/paper?S2053273325011015

Short presentations for crystallographic groups A practical approach is proposed for constructing short presentations for Euclidean crystallographic groups on given generating sets.

Igor A. Baburin: Short presentations for crystallographic groups #CrystallographicGroups #FinitelyPresentedGroups #CayleyGraphs ... #IUCr https://journals.iucr.org/paper?S2053273325010927

Prices of IUCr journals IUCr Journals subscription prices for 2026.

IUCr: Prices of IUCr journals ... #IUCr https://journals.iucr.org/paper?S2053273325010757

A new order parameter model for the structural phase transitions in VO2-based solid solutions To describe the structural phase transitions P42/mnm(R) ↔ P21/c(M1) ↔ P1(T) ↔ C2/m(M2) observed experimentally in VO2 and its solid solutions, the two-component order parameter model is newly proposed.

Il Hwan Kim et al.: A new order parameter model for the structural phase transitions in VO2-based solid solutions #VO2BasedSolidSolutions #StructuralPhaseTransition #WavevectorStarChannelGroup ... #IUCr https://journals.iucr.org/paper?S2053273325002232

Geometric indicators of local plasticity in glasses measured by scanning small-beam diffraction Deformation defects in structurally disordered glasses are much more difficult to detect and characterize than defects in crystals. Here we show how well defined geometric indicators of local plasticity in glasses can be measured using scanning small-beam diffraction.

Amelia C. Y. Liu et al.: Geometric indicators of local plasticity in glasses measured by scanning small-beam diffraction #Glass #Deformation #TopologicalDefect ... #IUCr https://journals.iucr.org/paper?S2053273325009775

Enhanced X-ray structural analysis using total variation denoising of X-ray diffraction images Denoised X-ray diffraction images by total variation regularization were used to improve the accuracy of X-ray structure analysis of a small-molecule crystal.

Kouhei Ichiyanagi et al.: Enhanced X-ray structural analysis using total variation denoising of X-ray diffraction images #XRayStructureAnalysis #DenoisingMethod #TotalVariationRegularization @TohokuUniPR...#IUCr https://journals.iucr.org/paper?S2053273325009672

On artificial crystal structure generation for solving the phase problem with deep learning A new approach for generating training data for solving the phase problem with deep learning is proposed. Models trained on such data are better at generalizing the solution for structures outside the training domain.

M​elgalvis and Rekis: On artificial crystal structure generation for solving the phase problem with deep learning #PhaseProblem #DeepLearning #ArtificialCrystalStructures @goetheuni...#IUCr https://journals.iucr.org/paper?S2053273325009428

Ultrathin selenium nanorods from helical phases: a quantum chemical study using line group theory The torsion instability of chiral selenium nanorods from the trigonal bulk phase was theoretically predicted. Two types (chiral/achiral) of selenium nanorods from the tetragonal bulk phase were constructed and studied.

Vitaly V. Porsev et al.: Ultrathin selenium nanorods from helical phases: a quantum chemical study using line group theory #SeleniumNanorods #RodSymmetryGroups #LineSymmetryGroups ... #IUCr https://journals.iucr.org/paper?S2053273325009088

Computing the bridge length: the key ingredient in a continuous isometry classification of periodic point sets We describe an efficient algorithm to compute the bridge length estimating the size of a complete isoset invariant, which classifies all periodic point sets under Euclidean motion.

M​cManus and Kurlin: Computing the bridge length: the key ingredient in a continuous isometry classification of periodic point sets #PeriodicPointSet #LabelledQuotientGraph #IsometryInvariant ... #IUCr https://journals.iucr.org/paper?S2053273325008253

Towards a taxonomy of nets: supersymmetric 2- and 3-periodic structures in three-dimensional Euclidean space We describe the supersymmetric nets, including some that are interlinked and interwoven.

M​ian Li et al.: Towards a taxonomy of nets: supersymmetric 2- and 3-periodic structures in three-dimensional Euclidean space #Supersymmetry #Polycatenanes #Transitivity ... #IUCr https://journals.iucr.org/paper?S2053273325008733

Digital distance in the kisrhombille grid with the edge neighborhood The kisrhombille tiling is the dual of one of the eight semi-regular tilings and is composed of right-angled triangles in 12 different orientations. In this paper, two triangles are considered neighbors if they share an edge. Paths in the grid are sequences of triangles where each triangle (except the first) follows one of its neighbors. Digital distance is defined and calculated based on the number of steps in a shortest path between any pair of triangles.

Fatma Kablan et al.: Digital distance in the kisrhombille grid with the edge neighborhood #HexagonalGrid #DigitalGeometry #DigitalDistance ... #IUCr https://journals.iucr.org/paper?S2053273325008095

Can Z, the number of formula units per unit cell, be a fraction? A report of the IUCr Commission on Crystallographic Nomenclature The Commission on Crystallographic Nomenclature has concluded that, in some rare, carefully justified circumstances, Z, the number of formula units in the unit cell, may be a fraction.

Carolyn P. Brock: Can Z, the number of formula units per unit cell, be a fraction? A report of the IUCr Commission on Crystallographic Nomenclature #CommissionReport #Z #NumberOfFormulaUnitsInTheUnitCell ... #IUCr https://journals.iucr.org/paper?S2053273325007053

Updating direct methods IV. Reduction of the structural complexity when quartet invariant phases are estimated by using the Patterson map as prior information A probabilistic theory of the quartet invariants is presented, which is capable of estimating quartet phases by exploiting the prior information contained in the Patterson map.

Carmelo Giacovazzo: Updating direct methods IV. Reduction of the structural complexity when quartet invariant phases are estimated by using the Patterson map as prior information #PhaseProblem #QuartetInvariants ... #IUCr https://journals.iucr.org/paper?S2053273325004735

3-Periodic weavings: piecewise linear embeddings of symmetric structures We provide a systematic account using symmetry and coordinates to explore symmetric (vertex- and edge-transitive) 3-periodic weavings of piecewise linear threads and 3-coordinated nets.

O'Keeffe and Treacy: 3-Periodic weavings: piecewise linear embeddings of symmetric structures #PeriodicWeaving #SymmetricWeaves #HelicalThreads ... #IUCr https://journals.iucr.org/paper?S2053273325004802

Machine learning for the classification of serial electron diffraction patterns: synthetic data Machine learning based sorting of synthetic serial electron diffraction patterns into 2D zonal patterns and patterns representing intersections of multiple Laue zones is demonstrated. The extracted zonal patterns can be used for the determination of unit-cell parameters.

Gorelik and Gorelik: Machine learning for the classification of serial electron diffraction patterns: synthetic data #SerialElectronCrystallography #MachineLearning @TUBerlin...#IUCr https://journals.iucr.org/paper?S2053273325005327

Temporal ghost imaging for pump–probe X-ray solution scattering An algorithm is described to recover super-temporal resolution dynamics of X-ray scattering profiles of photo-excited biomolecules in solution from pump–probe X-ray solution scattering data.

B. R. Mobley et al.: Temporal ghost imaging for pump–probe X-ray solution scattering #SAXS #SmallAngleXRayScattering #GhostImaging @asu...#IUCr https://journals.iucr.org/paper?S2053273325004243

Symmetries of all lines in monolayer crystals Scanning tables for the layer groups are presented, listing the crystal symmetries for all rational lines in all layer groups (describing monolayer crystals). This has applications for linear defects and domain walls in 2D materials.

Field and Griffin: Symmetries of all lines in monolayer crystals #LayerGroups #DMaterials #RodGroups ... #IUCr https://journals.iucr.org/paper?S205327332500422X

Direct derivation of anisotropic atomic displacement parameters from molecular dynamics simulations in extended solids with substitutional disorder using a neural network potential Direct derivation of anisotropic atomic displacement parameters is possible using molecular dynamics simulations of supercells at finite temperature.

Yoyo Hinuma: Direct derivation of anisotropic atomic displacement parameters from molecular dynamics simulations in extended solids with substitutional disorder using a neural network potential #MolecularDynamics ... #IUCr https://journals.iucr.org/paper?S2053273325004620

Phase seeding may provide a gateway to structure solution by deep learning Carrozzini et al. [(2025), Acta Cryst. A81, 188–201] propose a hybrid phasing strategy where coarse phase estimates for a subset of strong reflections – potentially ML-derived – serve as seeds for dual-space ab initio methods. This can enhance structure solution for large non-centrosymmetric systems.

Anders Østergaard Madsen: Phase seeding may provide a gateway to structure solution by deep learning @koebenhavns_uni...#IUCr https://journals.iucr.org/paper?S2053273325004814

Crystal tensor properties of magnetic materials with and without spin–orbit coupling. Application of spin point groups as approximate symmetries We have studied the constraints that the spin group symmetry imposes on the most important crystal tensors, on the basis of a generalization of the Neumann principle to spin point groups. Some examples of real materials are presented, and their tensor forms under the spin and magnetic point groups are compared.

Jesus Etxebarria et al.: Crystal tensor properties of magnetic materials with and without spin–orbit coupling. Application of spin point groups as approximate symmetries... #IUCr https://journals.iucr.org/paper?S2053273325004127

Refuting `a new theory for X-ray diffraction' – a reciprocal-space approach A `new theory for X-ray diffraction' proposed by Fewster in 2014 is shown to be based on a conceptual error. Residual intensity away from Bragg peaks is also discussed.

Elias Vlieg et al.: Refuting `a new theory for X-ray diffraction' – a reciprocal-space approach #XRayDiffraction #ScatteringTheory #CrystalTermination ... #IUCr https://journals.iucr.org/paper?S2053273325000762