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: Aperiodic crystals may conveniently be described in a higher dimensional `superspace'. An overview of the method and applications to various families is given.
Synopsis: The use of Mo K radiation for the absolute structure determination of crystals made up of enantiopure light-atom molecules was explored. The combination of the methodologies described by Parsons and Hooft and the use of high-resolution reflections was found to be effective to achieve accurate values of the absolute structure parameters.
Synopsis: X-ray diffraction analyses for new pentamidine analogs are presented: 1,4-bis(4-cyanobenzyl)piperazine (1) crystallizes in the triclinic space group (P-1) and 1,4-bis(4-amidinobenzyl)piperazine tetrahydrochloride tetrahydrate (2) in the monoclinic space group (P21/n) revealing a complex system of hydrogen bonds for (2).
Synopsis: Synthetic vernadite was equilibrated at pH values ranging from 3 to 10 and its crystal structure elucidated using X-ray diffraction on fresh samples and on samples aged for up to eight years. The main structural transformation with time is related to the migration of Mn3+ from the octahedral layer to the interlayer. For low pH samples, which contain initially the higher number of interlayer Mn3+, this transformation leads to a tunnel-like cryptomelane structure (2 × 2 tunnel size).
Synopsis: Seven new molecular salts of norfloxacin were synthesized and structurally elucidated by single-crystal structure analysis. Physical and chemical properties were evaluated by a variety of analytical techniques.
Synopsis: CBN crystals are polymorphic with an orthorhombic one-dimensionally and a tetragonal two-dimensionally modulated superstructure.
Synopsis: The deficiencies present in the bond-valence theory in explaining mean bond-length variations observed in crystal structures can be overcome by taking into account the contribution of bond topology and bond strain to a constant bond-length value.
Synopsis: The crystal structure of the decagonal phase in the system Al-Ni-Rh (d-Al-Ni-Rh) was analyzed in the five-dimensional embedding approach based on single-crystal synchrotron X-ray diffraction data. The structure can be described as a quasiperiodic packing of partially overlapping decagonal and pentagonal columnar clusters with 21 Å diameter and 4 Å period along the tenfold axis.
Synopsis: The charge-density distribution in sodium bis(4-nitrophenyl)phosphate has been studied experimentally and by density-functional theory calculations.
Synopsis: The incommensurately modulated crystal structure and the intermolecular interactions of the organic salt C10H18N+·C7H4FO2- are studied by analysing single-crystal X-ray diffraction data within the (3+1)-dimensional superspace approach and superspace group P21/n(0)00.
Synopsis: Salt hydrates of different water content and different crystal structures (Na2SO4·7H2O, tetragonal, space group P41212 and Na2SeO4·7.5H2O, monoclinic, space group C2/c) can act mutually as a crystal nucleus, so that either of these salts can initiate crystallization of the other from their supersaturated solutions (a kind of heteroepitaxy). This phenomenon is attributed to similarities between particular elements of their structures.
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