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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 papersThree different Ge environments in a new Sr5CuGe9O24 phase synthesized at high pressure and high temperature
The high-pressure/high-temperature phase Sr5CuGe9O24 was solved by low-dose electron diffraction tomography and refined against powder X-ray diffraction data. The Ge ions in this compound have three different coordination numbers.
research papersresearch papersThe effective volumes of waters of crystallization: general organic solids
The effective volumes of waters of crystallization have been determined for 163 hydrate/parent systems, yielding a mean value of 24 Å3. A generic value of 147 ± 56 × 10−6 K−1 has been established for the volumetric coefficient of thermal expansion of organic solids. These results may be helpful in assessing and predicting hydrate crystal structures and volume-related thermodynamic properties.
research papersMechanical behavior and phase change of alkali-silica reaction products under hydrostatic compression
The anisotropic deformation and pressure-induced phase change of alkali-silica reaction (ASR) products are studied by high-pressure X-ray diffraction, providing the first molecular-scale input to model the micro-degradation of concrete that suffers from ASR damage.
research papersresearch papersIdentifying and characterizing translationally modulated molecular crystal structures
A program to identify and characterize approximate translations has been written. Running it for the structures archived in the Cambridge Structural Database showed that the frequency of pseudotranslations increases with Z′ and is approximately 50% for Z′ > 4.
research papersMelting points of one- and two-component molecular crystals as effective characteristics for rational design of pharmaceutical systems
A database containing the fusion temperatures of two-component molecular crystals (1947 co-crystals) and individual components thereof has been created and analysed. The approach based on an efficacy parameter allowing the prediction of co-crystals with melting points lower than those of individual compounds was developed.
research papersresearch papersEvaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies
The importance of fluorine-mediated interactions in the crystal structures of a series of tetra-fluorinated tetrahydroisoquinoline derivatives through structural and computational analysis is presented.
