The following articles are a selection of those recently accepted for publication in Acta Crystallographica Section B: Structural Science.
See also Forthcoming articles in all IUCr journals.
Synopsis: The oxidation-state-independent 'bond valence (s) versus bond length (r)' correlation curve for manganese - oxygen bonds has been closely approximated using the two-parameter s = f(r) function s = [(r0 - l)/(r - l)]2, where r0 = 1.763(2) Å and l = 1.148(9) Å.
Synopsis: Cu/Zn disorder in Cu2ZnSnS4 has been investigated by the X-ray resonant single-crystal diffraction technique.
Synopsis: Transition of Ca under pressure from close-packed structures fcc, bcc to the open-packed simple cubic structure is explained by a core electron overlap with the valence band. Ca-VII and In5Bi3 exhibit similar crystal structures due to common features of their electronic structure.
Synopsis: - The structure of -cyclodextrin dimethylformamide 12.5 hydrate has been determined. The main factors responsible for the packing differences and similarities in related complexes have been investigated by a thorough structural analysis.
Synopsis: This article is focused on the structure determination of three anhydrous xylazine hydrochloride forms by powder X-ray diffraction without X-ray monochromatization. The physical properties of the determined structures were analysed.
Synopsis: The results of the first quantitative structure analysis of the Frank-Kasper decagonal Zn-Mg-Dy phase based on single-crystal X-ray diffraction data taken at different temperatures are reported.
Synopsis: Some of the t(x) functions (t = a, b, c) in the systems BiSX1 - xYx (X, Y = Cl, Br, I) exhibit strong deviations from linearity.
Synopsis: Single-crystal X-ray diffraction of the -phase of Pigment Red 170 reveals lines of strong diffuse scattering indicating severe layer stacking disorder. An attempt to deduce an average structure resulted in two plausible solutions, thus challenging the concept of an average structure for this material.
Synopsis: Crystal structures of KLaS2, KPrS2, KEuS2, KGdS2, KLuS2, KYS2 and RbYS2 have been determined, which belong to the -NaFeO2 structural family (), as well as NaLaS2, which is derived from the disordered NaCl structural type (). The article is accompanied by crystal-chemical analysis of alkaline and thallium(I) rare-earth sulfides as well as by a table that critically considers the published data of this class of compounds.
Synopsis: The structure of the title compound has been refined by single-crystal synchrotron X-ray diffraction combined with spherical-aberration-corrected scanning transmission electron microscopy. The structure consists of iron-centred normal and disordered Zn12 icosahedra, zinc-centred Zn12 icosahedra, zinc-centred Zn16 icosioctahedra, and dangling Zn atoms that do not constitute any polyhedra.
Synopsis: A monoclinic superstructure occurring in a Ce10W22O81 compound was identified by transmission electron microscopy. The partial oxidation of Ce3+ along with interstitial oxygen ions could explain this superstructure.
Synopsis: A method was developed and implemented for fitting a crystal structure to a powder pattern, even if the lattice parameters deviate strongly. The method is even successful for powder diagrams of very low quality. Applications include an automatic fit starting from predicted structures or isostructural compounds.
Synopsis: The charge-density analysis of isoniazid reveals the electron-density distribution and its electrostatic properties. The topological study on hydrogen bonding shows the strength of intermolecular interactions.
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