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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 papersCrystal structure, hydrogen bonds and thermal transformations of superprotonic conductor Cs6(SO4)3(H3PO4)4
Single crystals of Cs6(SO4)3(H3PO4)4 were studied by neutron diffraction methods, optical polarization microscopy, scanning electron microscopy and energy-dispersive X-ray spectroscopy. The crystal structure, including hydrogen-bond networks, and transformations with changes in temperature are reported in comparison with Cs compounds having relatively similar compositions.
research papersNovel aluminophosphate Na6[Al3P5O20] with the original microporous crystal structure established in the study of a pseudomerohedric microtwin
Microporous sodium aluminophosphate, Na6[Al3P5O20], with a new type of structure, is described as being built of octahedral rods arranged in two perpendicular directions.
research papersresearch papersresearch papersresearch papersCrystal chemistry of lamprophyllite-group minerals from the Murun alkaline complex (Russia) and pegmatites of Rocky Boy and Gordon Butte (USA): single crystal X-ray diffraction and Raman spectroscopy study
Specific features of crystal chemistry of lamprophyllite-related minerals are discussed, using the available literature data and the results of original single-crystal X-ray diffraction and Raman spectroscopic study of several samples from the Murun alkaline complex (Russia) and Rocky Boy and Gordon Butte pegmatites (USA).
research papersPolymorphs of phenazine hexacyanoferrate(II) hydrate: supramolecular isomerism in a 2D hydrogen-bonded network
The crystal structures of two polymorphs of a phenazine hexacyanoferrate salt/cocrystal are presented. The polymorphs are remarkably similar, both comprising two-dimensional hydrogen-bonded networks built from the same supramolecular units.
scientific commentariesLooking at local classical and quantum forces in stable crystals using multipole-model refined electron densities and orbital-free DFT approximations
By cleverly combining concepts and tools from different disciplines and by making use of the X-ray derived electron density, the balance of quantum and electrostatic local forces acting on electrons in stable crystals can now be analysed. This is illustrated for diamond and the NaCl crystal, in terms of a topological analysis of the scalar potentials associated to these forces.
