Acta Crystallographica Section A: Foundations and Advances covers advances in all areas of structural and materials science, from traditional crystallography to nanocrystals, quasicrystals, amorphous materials and more. Topics like electron crystallography, diffraction imaging and time-resolved XFEL studies are included. Contributions on analysis tools and computational approaches, including AI and machine learning, are encouraged. The journal's focus is on studying the properties and arrangements of atoms, ions and molecules in condensed matter using foundational experimental, computational and theoretical methods.

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Updating direct methods IV. Reduction of the structural complexity when quartet invariant phases are estimated by using the Patterson map as prior information

  •  10 July 2025

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Updating direct methods IV. Reduction of the structural complexity when quartet invariant phases are estimated by using the Patterson map as prior information Issue ,

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.

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Temporal ghost imaging for pump–probe X‐ray solution scattering

  •  7 July 2025

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Temporal ghost imaging for pump–probe X-ray solution scattering Issue ,

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.

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3‐Periodic weavings: piecewise linear embeddings of symmetric structures

  •  7 July 2025

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3-Periodic weavings: piecewise linear embeddings of symmetric structures Issue ,

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.

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Machine learning for the classification of serial electron diffraction patterns: synthetic data

  •  7 July 2025

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Machine learning for the classification of serial electron diffraction patterns: synthetic data Issue ,

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.

research papers

Symmetries of all lines in monolayer crystals

  •  339-349
  •  13 June 2025

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Symmetries of all lines in monolayer crystals Issue 4, 2025

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.

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