journal menuforthcoming 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.
research papersresearch papersSelective acceleration and inhibition of crystal growth of glass carbamazepine by low-concentration poly(ethylene oxide):effects of drug polymorph
Low-concentration poly(ethylene oxide) exhibit the polymorph-dependent effects on both the surface and bulk crystal growth of carbamazepine polymorphs. These polymorph-dependent effects of PEO were mainly attributed to the polymer enrichment at the interface and different crystal surface-polymer interactions.
research papersDensity functional theory investigation of the phase transition, elastic and thermal characteristics for AuMTe2(M = Ga, In) chalcopyrite compounds
The first theoretical predictions of the phase transitions, elastic properties and thermal behavior of AuMTe2 (M = Ga, In) chalcopyrite compounds are presented. Using density functional theory and the quasi-harmonic Debye model, key mechanical and thermodynamic properties are analyzed, offering insights valuable for future experimental validation.
research papersresearch papersresearch papersCo-crystal structure prediction of N-halide phthalimides with 3,5-dimethylpyridine
It is shown that the evolutionary algorithm USPEX can successfully predict stable stoichiometries of co-crystals and how synthon analysis helps to aid crystal structure prediction by identifying the likeliest structures.
research papersConformational disorder in quercetin dihydrate revealed from ultrahigh-resolution synchrotron diffraction
The charge-density distribution at ultrahigh resolution of quercetin dihydrate crystal reveals a subtle disorder in the catechol ring system. The electrostatic complementarity between the quercetin molecule and its surroundings is good with the water molecules, but less so in the aromatic stacking region.
research papersCoordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks
The hydrothermal synthesis and structural characterization of four novel 3D pillared-layer metal–organic frameworks are studied, revealing how the malleability of copper coordination geometries drives diverse supramolecular isomerism. The findings provide new insights into designing advanced hybrid materials with tailored properties, emphasizing the significant role of reaction conditions and metal ion flexibility in determining network topologies.
research papersresearch papersresearch papersSymmetry, magnetic transitions and multiferroic properties of B-site-ordered A2MnB′O6 perovskites (B′ = [Co, Ni])
A comparative description is presented of the symmetry and the magnetic structures found in the family of double perovskites A2MnB′O6 (mainly B′ = Co and some Ni compounds for comparative purposes).
