most read articles

These are the most read articles in the last six months.

Crystal tensor properties of magnetic materials with and without spin–orbit coupling. Application of spin point groups as approximate symmetries. J. Etxebarria, J. M. Perez-Mato, E. S. Tasci & L. Elcoro (2025). Acta Cryst. A81, 317-338.

Refuting `a new theory for X-ray diffraction' – a reciprocal-space approach. E. Vlieg, P. Tinnemans & R. de Gelder (2025). Acta Cryst. A81, 306-316.

Topological coordination numbers and coordination reciprocity from electron-density distributions. F. R. Wagner, R. Freccero & Y. Grin (2025). Acta Cryst. A81, 221-244.

Unit-cell parameters determination from a set of independent electron diffraction zonal patterns. T. E. Gorelik, G. Miehe, R. Bücker & K. Yoshida (2025). Acta Cryst. A81, 124-136.

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.

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.

Origin and application of the Lorentz factor in X-ray diffraction. F. Gasser, J. Simbrunner, G. Freychet, N. Demitri, V. Holý & R. Resel (2026). Acta Cryst. A82, 350-360.

MIDAS: a methodological framework for high-speed high-energy diffraction microscopy data reduction. Part I: methodology. H. Sharma, J.-S. Park & P. Kenesei (2026). Acta Cryst. A82, 242-255.

Crystallography of quasiperiodic moiré patterns in homophase twisted bilayers. M. Quiquandon & D. Gratias (2025). Acta Cryst. A81, 94-106.

Crystallography in Open Science and its open educational resources. J. R. Helliwell (2026). Acta Cryst. A82, 229-241.

The phase-seeding method for solving non-centrosymmetric crystal structures: a challenge for artificial intelligence. B. Carrozzini, L. De Caro, C. Giannini, A. Altomare & R. Caliandro (2025). Acta Cryst. A81, 188-201.

Exploring oxide quasicrystals in internal space. S. Schenk, M. Haller, S. Förster & W. Widdra (2026). Acta Cryst. A82, 87-95.

A milestone for the solution to the lattice sphere covering problem in dimension n = 6. F. Vallentin (2025). Acta Cryst. A81, 5-8.

Renormalization techniques for inflation systems and some of their applications. M. Baake, F. Gähler, A. Klick, N. Mañibo & J. Mazáč (2026). Acta Cryst. A82, 294-304.

Uncertainties of recalculated bond lengths, angles and polyhedral volumes as implemented in the Crystal Palace program for parametric crystal structure analysis. R. J. Angel, M. L. Mazzucchelli, L. Baratelli, C. F. Schweinle, T. Balić-Žunić, J. Gonzalez-Platas & M. Alvaro (2025). Acta Cryst. A81, 202-210.

Computing the bridge length: the key ingredient in a continuous isometry classification of periodic point sets. J. McManus & V. Kurlin (2025). Acta Cryst. A81, 427-437.

Atomic pair distribution functions from textured polycrystalline samples: fundamentals. Z. Gong, S. Tao & S. J. L. Billinge (2025). Acta Cryst. A81, 412-418.

Growth functions of periodic space tessellations. B. Naskręcki, J. Malinowski, Z. Dauter & M. Jaskolski (2025). Acta Cryst. A81, 64-81.

Honeycombs – their variety, topology and symmetry. Z. Dauter & M. Jaskolski (2025). Acta Cryst. A81, 159-166.

MIDAS: a quantitative framework for high-energy diffraction microscopy. Part II: accuracy, robustness and best practices. H. Sharma, J.-S. Park, S. Shastri & P. Kenesei (2026). Acta Cryst. A82, 305-320.

A computationally efficient quasi-harmonic study of ice polymorphs using the FFLUX force field. A. Pák, M. L. Brown & P. L. A. Popelier (2025). Acta Cryst. A81, 36-48.

Can Z, the number of formula units per unit cell, be a fraction? A report of the IUCr Commission on Crystallographic Nomenclature. C. P. Brock (2025). Acta Cryst. A81, 405-408.

George M. Sheldrick (1942–2025). I. Usón & R. Herbst-Irmer (2025). Acta Cryst. A81, 167-174.

On artificial crystal structure generation for solving the phase problem with deep learning. D. M. Melgalvis & T. Rekis (2026). Acta Cryst. A82, 32-40.

A note on the relation of anisotropic peak broadening with lattice symmetry in powder diffraction. P. Fabrykiewicz (2025). Acta Cryst. A81, 245-247.

A physical optics formulation of Bloch waves and its application to 4D STEM, 3D ED and inelastic scattering simulations. B. G. Mendis (2025). Acta Cryst. A81, 113-123.

Glass bead games: enumeration of possible polytypes based on two stacking vectors and applications to the iron-ore sinter phases SFCA and SFCA-I. M. F. Salzmann, V. Kahlenberg, H. Krüger & T. Netzer (2026). Acta Cryst. A82, 145-162.

Case study of using the single-atom R1 method to solve a small protein structure. X. Zhang (2026). Acta Cryst. A82, 331-334.

Artificial intelligence in action: building simulation and analysis tools for powder diffraction. P. Scardi & M. A. Malagutti (2025). Acta Cryst. A81, 401-404.

From atoms to a data bank: optimizing transferability of electron-density symmetry. P. M. Rybicka, M. Kulik, V. Ignat'ev & P. M. Dominiak (2026). Acta Cryst. A82, 256-275.

Primitive icosahedral quasicrystals in ZnMgLi(Dy, Ho, Er, Tm) systems. I. Buganski, S. Vrtnik, R. Strzalka, A. Jelen, S. Drev, J. Wolny & N. Fujita (2026). Acta Cryst. A82, 108-117.

The general equation of δ direct methods and the novel SMAR algorithm residuals using the absolute value of ρ and the zero conversion of negative ripples. J. Rius (2025). Acta Cryst. A81, 16-25.

Surface-driven size scaling of the lattice parameter, Debye–Waller coefficient and microstrain in nanocrystals. S. Subbareddy, E. Agnolin, M. A. Malagutti, N. Ataollahi, R. Dinnebier & P. Scardi (2026). Acta Cryst. A82, 366-376.

On symmetries of higher-order elastic constants. J. D. Clayton (2025). Acta Cryst. A81, 1-4.

It's all in the group. B. Souvignier (2026). Acta Cryst. A82, 79-82.

Deconvoluting thermomechanical effects in X-ray diffraction data using machine learning. R. E. Lim, S.-L. Shang, C. Chuang, T. Q. Phan, Z.-K. Liu & D. C. Pagan (2025). Acta Cryst. A81, 137-150.

Machine learning for the classification of serial electron diffraction patterns: synthetic data. T. E. Gorelik & E. Gorelik (2025). Acta Cryst. A81, 397-400.

The role of absorption in 3D electron diffraction dynamical structure refinement. B. Colmey, T. A. S. Doherty, S. A. Malik & P. A. Midgley (2026). Acta Cryst. A82, https://doi.org/10.1107/S2053273326009459.

A parsimonious structure model for the icosahedral quasicrystal Cd_5.7Yb. M. Feuerbacher (2026). Acta Cryst. A82, 383-391.

Periodic Platonic solids: the royal family of periodic nets. W. Zhou (2026). Acta Cryst. A82, 1-3.

Phase seeding may provide a gateway to structure solution by deep learning. A. Ø. Madsen (2025). Acta Cryst. A81, 251-253.

Temporal ghost imaging for pump–probe X-ray solution scattering. B. R. Mobley, K. E. Schmidt & R. A. Kirian (2025). Acta Cryst. A81, 371-380.

Quasicrystals from the edge: extreme environments, impact craters and the quest in other celestial bodies. L. Bindi (2026). Acta Cryst. A82, 83-86.

New algorithm for generating all coincidence-site lattices of the cubic crystal system. K. Kawahara, K. Inoue, M. Saito, Q. Chen & Y. Ikuhara (2026). Acta Cryst. A82, 276-284.

A real rhombic dodecahedron: morphology and crystal shape variations. D. G. Stepenshchikov & A. D. Pavlushin (2026). Acta Cryst. A82, 335-339.

Geometric indicators of local plasticity in glasses measured by scanning small-beam diffraction. A. C. Y. Liu, H. Pham, A. Bera, T. C. Petersen, T. W. Sirk, S. T. Mudie, R. F. Tabor, J. Nunez-Iglesias, A. Zaccone & M. Baggioli (2026). Acta Cryst. A82, 4-17.

Symmetric vertex- and edge-transitive 3-periodic nets. M. O'Keeffe & M. M. J. Treacy (2026). Acta Cryst. A82, 361-365.

Adsorption of C₆₀ on Al₁₃Fe₄(010): a theoretical study. D. Job, F. Polewczyk, J. Ledieu, L. Dezerald & E. Gaudry (2026). Acta Cryst. A82, 138-144.

Relativistic Dirac–Hartree–Fock X-ray scattering factors. III. Chemically relevant atomic anions for Z = 1–85. H. Copeland, Y. Watanabe & A. Volkov (2026). Acta Cryst. A82, 200-217.

Rajagopala Chidambaram (1936–2025). S. C. Mande & T. P. Singh (2025). Acta Cryst. A81, 89-90.

Homophase bilayers: more than just the sum of their monolayers. M. Feuerbacher (2025). Acta Cryst. A81, 91-93.

Symmetries of a dynamical system arising from a biquadratic number field. K. A. C. de los Santos, M. L. Loyola & E. D. P. Miro (2026). Acta Cryst. A82, 285-293.

X-ray dynamical diffraction wavefront division interferometer (double-slit diffraction) with an asymmetric monochromator. Corrigendum. V. Mkrtchyan, M. Balyan, S. Petrosyan & A. Aivazyan (2026). Acta Cryst. A82, 228.

Octagonal tilings with three prototiles. A. L. Say-awen & S. Coates (2026). Acta Cryst. A82, 179-190.

Sine Ydun Larsen (1943–2025). S. Lidin, M. J. Cooper, I. Echeverria, M. Soler Lopez, F. Sette, P. Harris & L. Lo Leggio (2025). Acta Cryst. A81, 84-88.

Beyond complementarity: a reverse-engineering framework for de novo crystal structure determination from EXAFS. O. M. Ozkendir & S. Gunaydin (2026). Acta Cryst. A82, 321-330.

Revisiting Becker–Coppens (1974): updated recipes for estimating extinction factors in spherical crystallites. T. Kittelmann, D. D. DiJulio, S. Xu & J. I. M. Damián (2026). Acta Cryst. A82, 163-178.

Pierre J. Becker (1942–2024). J.-M. Gillet (2025). Acta Cryst. A81, 409-411.

The growth and structural characterization of a La_0.67Sr_0.33MnO₃/BaTiO₃ superstructure (superlattice). Ł. Kokosza, J. Pawlak, M. Marciszko-Wiąckowska, G. Cios, P. Jabłoński, A. Naumov, M. Przybylski & Z. Mitura (2026). Acta Cryst. A82, 191-199.

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.

On geometric tubular polyhedra of types 2₀₁ and 2₁. D. Pellicer & G. Williams (2026). Acta Cryst. A82, 218-227.

Maximal independence and regularity of Al/Si distributions in disordered phyllosilicates 2:1. M. Moreira de Oliveira Jr & J.-G. Eon (2026). Acta Cryst. A82, https://doi.org/10.1107/S2053273326009794.

Tiles from projections of the root and weight lattices of A_n. N. Ozdes Koca, M. Koca & R. N. Al Reasi (2026). Acta Cryst. A82, 377-382.

Helical substructures of 4D constructions that determine the structure of α-helices. A. Talis (2025). Acta Cryst. A81, 211-220.

Structural investigation and C₆₀ adsorption on the (100) surface of a 1/1 pseudo-Tsai-type Au–Si–Ho quasicrystalline approximant. W. Bajoun Mbajoun, Y.-C. Huang, G. H. Gebresenbut, C. P. Gómez, V. Fournée & J. Ledieu (2026). Acta Cryst. A82, 103-107.

Towards a taxonomy of nets: supersymmetric 2- and 3-periodic structures in three-dimensional Euclidean space. M. Li, M. O'Keeffe & M. M. J. Treacy (2025). Acta Cryst. A81, 419-426.

Minimal-transitivity finite tangles and catenated polyhedra. M. O'Keeffe & M. M. J. Treacy (2026). Acta Cryst. A82, 96-102.

Distinguishing isotropic and anisotropic signals for X-ray total scattering using machine learning. D. N. Alverson, D. Olds & M. M. Butala (2025). Acta Cryst. A81, 175-187.

On colourings of cubic lattices – a tribute to Heinrich Heesch. I. A. Baburin (2026). Acta Cryst. A82, 69-76.

Enhanced X-ray structural analysis using total variation denoising of X-ray diffraction images. K. Ichiyanagi, T. Sasaki, Y. Yokoyama & Y. Yamasaki (2026). Acta Cryst. A82, 49-54.

Isogonal 1-periodic polycatenanes (chains). Transitivity and intransitivity of links. M. O'Keeffe & M. M. J. Treacy (2025). Acta Cryst. A81, 151-158.

Symmetry structures of tilings on a Klein bottle. M. L. A. De Las Peñas, M. Loyola, E. Taganap & M. Tomenes (2026). Acta Cryst. A82, 118-127.

Complete classification of six-dimensional iso-edge domains. M. Dutour Sikirić & W. van Woerden (2025). Acta Cryst. A81, 9-15.

Approximate lattice matching in three dimensions. L. C. Andrews & H. J. Bernstein (2026). Acta Cryst. A82, 132-135.

Short presentations for crystallographic groups. I. A. Baburin (2026). Acta Cryst. A82, 18-31.

Reducible wavevector star channel groups and symmetry analysis of ordered phases in perovskite crystals. I.-H. Kim, U.-I. Kang, K.-O. Jang, J.-S. Ri & S.-W. Kim (2026). Acta Cryst. A82, 392-408.

Determination of the one-electron reduced Wigner function for a molecular crystal. S. Yu & J.-M. Gillet (2026). Acta Cryst. A82, https://doi.org/10.1107/S2053273326009678.

Symmetries of all lines in monolayer crystals. B. Field & S. M. Griffin (2025). Acta Cryst. A81, 339-349.

An extensible Julia toolkit for symmetry-aware dual-space phasing in arbitrary dimensions. P. Kalugin (2026). Acta Cryst. A82, 41-48.

Modelling regularity of Si/Al distributions in disordered tectosilicates – application to zeolites with the GIS framework type. M. Moreira de Oliveira Jr & J.-G. Eon (2025). Acta Cryst. A81, 353-370.

A new order parameter model for the structural phase transitions in VO₂-based solid solutions. I. H. Kim, J. S. Ri, U. I. Kang, I. H. Kim, K. O. Jang & S. W. Kim (2026). Acta Cryst. A82, 55-68.

Small-angle rigid-unit modes requiring linear strain compensation. B. T. Eggers, H. T. Stokes & B. J. Campbell (2025). Acta Cryst. A81, 26-35.

X-ray dynamical diffraction wavefront division interferometer (double-slit diffraction) with an asymmetric monochromator. V. Mkrtchyan, M. Balyan, S. Petrosyan & A. Aivazyan (2025). Acta Cryst. A81, 438-448.

Simulation of reciprocal-space mapping using a new analytical solution of kinematical X-ray diffraction in a crystal. V. Punegov (2025). Acta Cryst. A81, 57-63.

Periodic graphs with coincident edges: folding-ladder and related graphs. O. Delgado-Friedrichs, M. O'Keeffe & M. M. J. Treacy (2025). Acta Cryst. A81, 49-56.

Double-slit X-ray dynamical diffraction in elastically deformed crystals. M. K. Balyan (2025). Acta Cryst. A81, 294-305.

Updating direct methods IV. Reduction of the structural complexity when quartet invariant phases are estimated by using the Patterson map as prior information. C. Giacovazzo (2025). Acta Cryst. A81, 389-396.

Symmetric 3-periodic polycatenanes: catenated rings, polyhedra and rods. M. O'Keeffe & M. M. J. Treacy (2025). Acta Cryst. A81, 107-112.

P³, linearizing unit-cell parameters. L. C. Andrews & H. J. Bernstein (2026). Acta Cryst. A82, 128-131.

Band and Curie limit symmetry groups. Y. L. Voytekhovsky (2025). Acta Cryst. A81, 350-352.

3-Periodic weavings: piecewise linear embeddings of symmetric structures. M. O'Keeffe & M. M. J. Treacy (2025). Acta Cryst. A81, 381-388.

Ultrathin selenium nanorods from helical phases: a quantum chemical study using line group theory. V. V. Porsev, A. V. Bandura, D. D. Kuruch & R. A. Evarestov (2025). Acta Cryst. A81, 460-472.

The separation of the effects of atomic displacement and local resolution in crystallographic and cryo-electron microscopy maps. V. Y. Lunin & N. L. Lunina (2025). Acta Cryst. A81, 473-477.

Digital distance in the kisrhombille grid with the edge neighborhood. F. Kablan, B. Nagy & B. Vizvári (2025). Acta Cryst. A81, 449-459.

Dynamics and entropy of dynamical systems arising from two-dimensional random substitutions. B. C. L. Felipe, E. D. P. Miro & L. S. Silvestre Jr (2026). Acta Cryst. A82, https://doi.org/10.1107/S2053273326008351.

Predominantly pentagonal ice bilayers: energetics and self-assembly properties. S. V. Gudkovskikh & M. V. Kirov (2026). Acta Cryst. A82, https://doi.org/10.1107/S2053273326009629.

On the symmetry properties and crystallographic generation of the Schwarz minimal P surface. Z. Dauter & M. Jaskolski (2026). Acta Cryst. A82, https://doi.org/10.1107/S205327332601003X.

On the diffraction spectrum of two-dimensional random substitutions. J. R. Mijares, E. D. P. Miro & L. S. Silvestre Jr (2026). Acta Cryst. A82, https://doi.org/10.1107/S2053273326009587.

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