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Forthcoming article in Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials



Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their



 



Determination of hydrogen site and occupancy in hydrous Mg2SiO4 spinel by single-crystal neutron diffraction
A single-crystal neutron diffraction study was performed on hydrogen in ringwoodite, which is the most important host mineral of water in the Earth's deep mantle. Its hydrogen incorporation mechanism, bonding geometry and occupancy at the relevant hydrogen site were unambiguously revealed.



A novel representative in the rare family of trivanadates, KMn2V3O10: synthesis, crystal structure and magnetic properties
In the crystal structure of KMn2V3O10, tetramers of MnO6 octahedra sharing edges and trimers of VO4 tetrahedra sharing vertices are linked in a three-dimensional framework with channels occupied by ?K atoms -> K3+ ions?. The novel representative in the rare family of trivanadates orders antiferromagnetically at TN = 8.2 K.



Bond-length distributions for ions bonded to oxygen: results for the non-metals and discussion of lone-pair stereoactivity and the polymerization of PO4
Bond-length distributions are examined for three configurations of the H+ ion, 16 configurations of the group 14–16 non-metal ions and seven configurations of the group 17 ions bonded to oxygen. Lone-pair stereoactivity for ions bonded to O2− is discussed, as well as the polymerization of the PO4 group.



Bond-length distributions for ions bonded to oxygen: results for the lanthanides and actinides and discussion of the f-block contraction
Bond-length distributions have been examined for 84 configurations of the lanthanide ions and 22 configurations of the actinide ions bonded to oxygen. The lanthanide contraction for the trivalent lanthanide ions bonded to O2− is shown to vary as a function of coordination number and to diminish in scale with increasing coordination number.



Bond-length distributions for ions bonded to oxygen: metalloids and post-transition metals
Bond-length distributions are examined for 33 configurations of the metalloid ions and 56 configurations of the post-transition metal ions bonded to oxygen. Lone-pair stereoactivity is discussed.



Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids
The concept of using a structural mimic for accessing and identifying the most important solid-state structural features in target molecules that are difficult to crystallize is explored.



The crystal structure of cesbronite, Cu3TeO4(OH)4: a novel sheet tellurate topology
The novel crystal structure of cesbronite has been determined. It is composed of corrugated sheets of edge-sharing CuO6 and (Cu0.5Te0.5)O6 octahedra and shows well defined ordering of Cu and Te.



Supramolecular heterosynthon assemblies of ortho-phenyl­enedi­amine with substituted aromatic carb­oxy­lic acids
Five crystal structures obtained from co-crystallization experiments of ortho-phenyl­enedi­amine with substituted aromatic acids (phthalic acid, salicylic acid, 4-hy­droxy­benzoic acid, 4-nitro­benzoic acid and 3,5-di­nitro­benzoic acid) are reported. The formation of heterosynthons between cation and anion in the five salts is discussed.