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 23 January 2018

Crystal growth, structure and characterization of Er6B4O15 as self-activated eye-safe laser material within the near-infrared waveband

A novel rare earth borate Er6B4O15 was found and its crystal growth, structure and optical properties are presented. Er6B4O15 crystal is a promising candidate material for achievement of an eye-safe near-infrared wavelength laser.

Accepted 21 January 2018

An extension of the ionic network analysis method of structure prediction to tectosilicates: the example of coesite at variable pressure

The method of Ionic Network Analysis is extended to framework silicates by means of a pseudocubic representation of the SiO4 tetrahedra. This permits the prediction of crystal structures under novel (pTX) conditions, as demonstrated for the coesite polymorph of SiO2.

Accepted 16 January 2018

Aromaticity of benzene derivatives. CSD exploration.

The aromaticity HOMA index calculated for the benzene derivatives in the CSD database shows stability in the benzene aromaticity but it is possible to find many benzene compounds with significantly decreased aromaticity.

Accepted 11 January 2018

The crystal structure of [Fe2(PIMIC6)(AnthCO2)(CH3CN)]·[Fe2(PIMIC6)(AnthCO2)(CH3CN)0.9(CH2Cl2)0.1]·[Fe2(PIMIC6)(AnthCO2)(OH2)]·0.75CH3CN: a crystallographer's nightmare or a fascinating case of disorder?

The detailed refinement of a large and highly disordered compound is presented. All 14 400 conformations of the compound deriving from the possible combinations of independent disorders could be modeled. To enable this, 5311 parameters had to be refined, which makes this structure one of the most complex structures in the Cambridge Structural Database to date.


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