• Issue

    Acta Crystallographica Section A: Volume 81, Issue 2

    84-166
    March 2025

obituaries

Sine Ydun Larsen (1943–2025)

  • Pages: 84-88
  • First Published: 21 February 2025
Sine Ydun Larsen (1943–2025)

Sine Larsen, former President and former General Secretary and Treasurer of the IUCr, is remembered.

Rajagopala Chidambaram (1936–2025)

  • Pages: 89-90
  • First Published: 21 February 2025
Rajagopala Chidambaram (1936–2025)

Obituary for Rajagopala Chidambaram

scientific commentaries

Homophase bilayers: more than just the sum of their monolayers

  • Pages: 91-93
  • First Published: 25 February 2025
Homophase bilayers: more than just the sum of their monolayers

Twisted homophase bilayers exhibit remarkable physical properties absent in their constituent monolayers. Quiquandon & Gratias [Acta Cryst. (2025), A81, 94–106] develop a crystallographic framework for rigorous description of the structure of bilayers, including systems without a coincidence lattice.

research papers

Open Access

Crystallography of quasiperiodic moiré patterns in homophase twisted bilayers

  • Pages: 94-106
  • First Published: 30 January 2025
Crystallography of quasiperiodic moiré patterns in homophase twisted bilayers

The quasiperiodic nature of moiré patterns in homophase twisted bilayers is analyzed to understand the underlying basic periodicities and symmetries of homophase twisted bilayers built on any 2D structure.

Symmetric 3-periodic polycatenanes: catenated rings, polyhedra and rods

  • Pages: 107-112
  • First Published: 09 January 2025
Symmetric 3-periodic polycatenanes: catenated rings, polyhedra and rods

We describe 3-periodic, vertex- and arc-transitive, polycatenated structures formed from rings, polyhedra and rods. There are infinite families of infinite structures, and this report is restricted to those structures with units linked to three or six others.

Open Access

A physical optics formulation of Bloch waves and its application to 4D STEM, 3D ED and inelastic scattering simulations

  • Pages: 113-123
  • First Published: 30 January 2025
A physical optics formulation of Bloch waves and its application to 4D STEM, 3D ED and inelastic scattering simulations

This article describes the re-formulation of Bloch waves using physical optics theory for more efficient simulation of large electron diffraction data sets.

Open Access

Unit-cell parameters determination from a set of independent electron diffraction zonal patterns

  • Pages: 124-136
  • First Published: 31 January 2025
Unit-cell parameters determination from a set of independent electron diffraction zonal patterns

We present an algorithm for unit-cell determination from a set of randomly oriented electron diffraction patterns and demonstrate its performance for two known structures (copper perchlorophthalocyanine and lysozyme) and one as-yet uncharacterized structure.

Open Access

Deconvoluting thermomechanical effects in X-ray diffraction data using machine learning

  • Pages: 137-150
  • First Published: 31 January 2025
Deconvoluting thermomechanical effects in X-ray diffraction data using machine learning

Bayesian machine learning, trained by physics-based simulations, is used to separate the effects of temperature and mechanical loading within in situ diffraction data.

Isogonal 1-periodic polycatenanes (chains). Transitivity and intransitivity of links

  • Pages: 151-158
  • First Published: 14 February 2025
Isogonal 1-periodic polycatenanes (chains). Transitivity and intransitivity of links

A description is provided of infinite families of high-symmetry 1-periodic chains, including linked polygons as well as linked polyhedra. Examples of both Hopf-linked and Borromean-linked chains are presented.

Open Access

Honeycombs – their variety, topology and symmetry

  • Pages: 159-166
  • First Published: 14 February 2025
Honeycombs – their variety, topology and symmetry

Several types of possible hexagonal double-layer honeycombs are described and analyzed from the point of view of their topology, symmetry and wax economy, including the newly discovered honeycomb with minimal use of wax.