forthcoming articles

The following articles are a selection of those recently accepted for publication in Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials.

See also Forthcoming articles in all IUCr journals.

Accepted 2 January 2025

The chemical theory of valence


Accepted 30 December 2024

Crystallography of the litharge to massicot phase transformation from neutron powder diffraction data


Accepted 12 December 2024

Structural studies of hydrated rare earth nitrates within the stereoatomic model of crystal structures


Accepted 11 December 2024

High-pressure and low-tem­per­ature behaviour of organic ferroelectric (R)-3-quinuclidinol

Pressure-induced structural strain in (R)-3-quinuclidinol crystals is analysed over different pressure ranges[under pressure] and com­pared with structural strain on cooling.

Accepted 8 December 2024

Structural and theoretical studies of amantadinium fenamates


Accepted 1 December 2024

Photoelasticity of crystals with the scheelite structure: quantum mechanical calculations

The methodology proposed combines the DFT calculations and photoelasticity caused by uniaxial compression of the crystal lattice, with particular emphasis on its anisotropy. It can be considered as part of optical engineering aimed at preliminary assessment of the photoelastic properties of crystal materials, thus assisting in their selection for synthesis and relevant applications.

Accepted 28 November 2024

Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe3+-doped single-crystal samples

Several Li+/Fe3+-doped Pbca orthoenstatite and Pbcn protoenstatite crystals were characterized revealing that varying levels of doping preferentially affect the py­rox­ene topologies.

Accepted 15 November 2024

Electron density distribution in bis­(guanidinium) disodium hypodiphosphate heptahydrate, (CH6N3)2Na2(P2O6)·7H2O

Electron density distribution in bis(guanidinium) disodium hypodiphosphate heptahydrate, (CH6N3)2Na2(P2O6)·7H2O, is reported.

Accepted 13 November 2024

Modulation of the modulated magnetic structure of an Ho i-MAX phase described by a magnetic (3+2)-dimensional superspace group

A rare complex incommensurate magnetic structure, an amplitude-modulated structure which itself is modulated, was determined in the Ho-based i-MAX phase (Mo2/3Ho1/3)2GaC. It represents a particularly distinctive case of a 2-k magnetic structure with no symmetry relation between the propagation vectors.

Accepted 13 November 2024

Crystallization induced by fungi and bacteria

The patterns of microbial crystallization are controlled by the chemical composition of biofilms associated with environmental exposure and the activity of microorganisms. The nutrition of microorganisms changes the oxalic acid and extracellular polymer substance content in the products of microbial metabolism, which significantly affects the medium pH promoting either the oxalate or carbonate crystallization.

Accepted 12 November 2024

SARAh – web representational analysis

The online software server SARAh—webRepresentational Analysis is introduced. The new suite of web apps carries out a range of calculations based on representation theory for the modelling of possible magnetic structures, their refinement from neutron scattering data and the analysis of other problems in condensed matter.

Accepted 15 October 2024

Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. Part III: partitioning into torsional groups


Accepted 8 October 2024

Review of honeycomb-based Kitaev materials with zigzag magnetic ordering



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