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 papersStructural systematics of hydrated rare earth nitrates within the stereoatomic model of crystal structures
Several isotypic and morphotropic series were distinguished. Coordination numbers of metal atoms, variation of bond lengths, coordination modes of ligands and combinatorial topological types of Voronoi–Dirichlet polyhedra were discussed.
research papersresearch papersStructural and theoretical studies of amantadinium fenamates
New crystals of salts of fenamic acid–amantadine and tolfenamic acid–amantadine are presented. Structural studies and theoretical analysis using QTAIM and NCI methods were performed to investigate weak interactions that are found to be crucial in the studied crystals.
research papersPhotoelasticity of crystals with the scheelite structure: quantum mechanical calculations
The methodology proposed combines DFT calculations and optical properties, investigating the relationship between the crystal lattice deformation, caused by uniaxial compression, and the photoelasticity, with particular emphasis on its anisotropy. The presented theoretical modelling, 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 further experimental characterization.
research papersCrystal 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, and varying levels of doping preferentially affect the pyroxene topologies.
research papersStructural and magnetic phase transitions in Eu1–xLaxFe3(BO3)4 (x = 0, 0.18)
The structural behaviour of EuFe3(BO3)4 and lanthanum-doped EuFe3(BO3)4 crystals has been studied with respect to temperature using X-ray fluorescence analysis, single-crystal X-ray diffraction, Mössbauer spectroscopy and specific heat capacity measurements. Structural and magnetic phase transitions have been discussed.
research papersresearch papersModulation 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.
research papersCrystallization 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. Variations in the nutritional components of the medium change the content of oxalic acid and extracellular polymer substance in the products of microbial metabolism, which significantly affect the pH and can lead to the replacement of oxalate crystallization by carbonate crystallization and vice versa.
research papersSARAh – 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.
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