forthcoming articles

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.

Accepted 7 June 2018

High−density HNIW/TNT cocrystal synthesized using a green chemical method

The HNIW/TNT cocrystals were synthesized by mechanochemical methods.The performance of the HNIW/TNT is improved than previous preparation, and this new method is a environmentally friendly approach than others.

Accepted 6 June 2018

(Al,Mg)3La: a new phase in the Mg–Al–La system

A new intermetallic phase has been identified in the Mg–Al–La system with the composition of (Al,Mg)3La. The crystal structure of this phase [C2221, a = 4.3365 (1), b = 18.8674 (4) and c = 4.4242 (1) Å] has been resolved using high-resolution synchrotron X-ray powder diffraction and verified by HAADF-STEM imaging.

Accepted 1 June 2018

Similarities and differences in the crystal packing of halogen-substituted indole derivatives

The crystal structures of newly synthesized halogenated indoles brings out the essential similarity and differences in intermolecular interactions in the solid state. The role of N—H⋯π and C—H⋯π establishes the key role of such interactions in modulating the crystal packing and their significance is established from both energetics from PIXEL and topological analysis of the electron density from QTAIM.

Accepted 25 May 2018

Control of crystal structure using temperature and time

Presented here are three novel crystal structures [FeC12H12NO7]·CH3CN, FeC12H10NO6 and [FeC12H10NO6]4 which were obtained using the same starting materials but with the reaction conditions of time and temperature varied.

Accepted 24 May 2018

Crystallographic searches for weak interactions – the limitations of data mining

Identification of weak non-covalent interactions by crystallographic searches in databases such as the Cambridge Structural Database can be misleading, if they are based on an indiscriminate use of all kinds of data; this is also a common problem mining data. An alternative is the use of selected compounds as the database, for which chemistry provides many options.

Accepted 15 May 2018

Nollmotzite, Mg[UV(UVIO2)2O4F3]·4H2O, the first natural uranium-oxide containing fluorine

The twinned structure of the new uranium oxide mineral was refined from X-ray diffraction data and was found to contain fluorine and pentavalent uranium. The presence of pentavalent uranium is indicative of the reducing conditions under which the mineral formed. Nollmotzite is the first naturally occurring uranium oxide mineral that contains fluorine.

Accepted 14 May 2018

Vanadium clusters formation in geometrically frustrated spinel oxide AlV2O4

A theory of the structural phase transition in AlV2O4 is proposed.

Accepted 2 May 2018

Jinshajiangite: structure, twinning and pseudo­symmetry

The crystal structure of jinshajiangite is revisited and corrected, with its pseudo-merohedral twinning and pseudosymmetry discussed in detail.


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