• Issue

    Acta Crystallographica Section B: Volume 81, Issue 3

    291-375
    June 2025

scientific commentaries

Unravelling the complexity of co-existing phases in piezoelectrics

  • Pages: 291-292
  • First Published: 09 June 2025
Unravelling the complexity of co-existing phases in piezoelectrics

The strategy used by Richtik et al. [(2025), Acta Cryst. B81, 337–349] is a textbook example of how to address the complex crystallinity in multiphase ferroelectric ceramics.

research papers

Open Access

Magnetic structure determination of multiple phases in the multiferroic candidate GdCrO3

  • Pages: 293-301
  • First Published: 16 April 2025
Magnetic structure determination of multiple phases in the multiferroic candidate GdCrO3

Using neutron powder diffraction, the successive magnetic structures in multiferroic candidate GdCrO3 have been determined, including a complex incommensurate phase below 2.3 K. The symmetry analysis uses a combination of little group formalism and superspace group approach highlighting the strength of each method and the results are reported using the latest IUCr guidelines.

Open Access

Magnetic structure determination and refinement using FullProf

  • Pages: 302-317
  • First Published: 09 June 2025
Magnetic structure determination and refinement using FullProf

A description of the FullProf Suite of programs for magnetic structure determination is given. Different types of magnetic structure factors are discussed, and links to examples and tutorials for using the programs are provided.

Open Access

The varying temperature- and pressure-induced phase transition pathways in hybrid improper ferroelectric Sr3Sn2O7

  • Pages: 318-324
  • First Published: 16 April 2025
The varying temperature- and pressure-induced phase transition pathways in hybrid improper ferroelectric Sr3Sn2O7

The phase transitions in Sr3Sn2O7 are studied crystallographically, illustrating both the hybrid improper ferroelectric mechanism that acts in this material and the varying response of the symmetry-breaking degrees of freedom with pressure and temperature.

Open Access

Cs4Ca[Si8O19]: a new mixed tetrahedral–octahedral oxosilicate, its topological features and comparison with other interrupted framework silicates

  • Pages: 325-336
  • First Published: 16 April 2025
Cs4Ca[Si8O19]: a new mixed tetrahedral–octahedral oxosilicate, its topological features and comparison with other interrupted framework silicates

The crystal structure of the mixed tetrahedral–octahedral framework silicate Cs4Ca[Si8O19] has been solved. A topological analysis of the present compound and other interrupted framework silicates is presented.

Shifting and tilting towards enhanced piezoelectricity in high-temperature ceramics: an average structure study of (1−x)BiFe2/8Ti3/8Mg3/8O3xPbTiO3 through X-ray and neutron diffraction

  • Pages: 337-349
  • First Published: 30 April 2025
Shifting and tilting towards enhanced piezoelectricity in high-temperature ceramics: an average structure study of (1−x)BiFe2/8Ti3/8Mg3/8O3–xPbTiO3 through X-ray and neutron diffraction

The crystallographic structure of a novel high-TC piezoelectric solid solution is revealed. Detailed structural analysis through X-ray and neutron diffraction provides structural meaning to this material's complex behaviour.

Open Access

Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II)

  • Pages: 350-362
  • First Published: 12 May 2025
Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II)

Multipolar model and Hirshfeld atom refinement are conducted on tetraaquabis(hydrogenmaleato)iron(II) based on a high-resolution X-ray diffraction experiment. Topological analysis is performed on both models. The study evaluates these models by comparing their effectiveness in determining bond lengths, anisotropic displacement parameters, electron densities, and atomic charges.

Effect of the transition metal on the structure and order–disorder phase transition in layered hybrid metal halides (CH3CH2NH3)2[MCl4] (M = Mn and Co)

  • Pages: 363-372
  • First Published: 28 May 2025
Effect of the transition metal on the structure and order–disorder phase transition in layered hybrid metal halides (CH3CH2NH3)2[MCl4] (M = Mn and Co)

The effect of a transition metal on the structural phase transition in 2D layered hybrid metal halides is reported.