issue contents

ISSN: 2052-5206

June 2017 issue

Early view articles

Journal cover

research papers

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A novel polar material, C5H6N3O2(HSO4), was synthesized, and its structure was determined in two phases. The origin of the X-ray diffuse scattering in a high-temperature disordered phase is explained as a precursor effect of the long-range ordered low-temperature phase.

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Intermolecular interactions in the bis­(L-asparaginium hydrogensquarate) monohydrate crystal are analyzed using Hirshfeld surface. The title compound has shown promising nonlinear optical and piezoelectric properties.

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The XRD pattern of a deleterious phase in the photocatalyst based on Cd1 − xZnxS/Zn(OH)2 contains two relatively intensive asymmetric peaks with d-spacings of 2.72 and 1.56 Å. To identify this phase, the XRD patterns were calculated for three models: sheet-like β-Zn(OH)2, sheet-like hydrozincite, Zn5(CO3)2(OH)6, and turbostratic hydrozincite. Simulations revealed the formation of nanocrystalline turbostratic hydrozincite-like phase.

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The crystal structure of the mineral meneghinite, CuPb13Sb7S24, has been solved and refined as an incommensurate structure from X-ray single-crystal diffraction data in four-dimensional superspace. The very small departure from the commensurate value of the modulation raises the question of whether incommensurability in sulfosalts could be much more frequent than previously thought.

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A superspace model with complete vacancy ordering is presented based on X-ray diffraction of a 2/1 mullite sample with sharp satellite reflections. The results allow different conclusions of previous investigations of the last decades to be consolidated.
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