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Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206

April 2024 issue

Highlighted illustration

Cover illustration: Rusanov et al. [Acta Cryst. (2024), B80, 135–145] investigate the behavior of the [Rb(18-crown-6)][SbCl6] complex under high pressure. The highly symmetric structure of this complex makes it a valuable model for studying pressure-induced interatomic interactions and structural changes, offering insights into crystal compression. The crystal exhibits anisotropic compression, which primarily occurs along the crystallographic c-axis. Under pressure, disordered Rb atoms are driven closer to the center of the crown ether cavity, ultimately requiring 2.5 GPa for complete encapsulation.

research papers


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Elastic and piezoelectric properties of β-glycine were studied in relation to the electron density distribution in the crystal structure. Structural strain of β-glycine crystals under high external pressure was interpreted. The mechanism of a high-pressure phase transition is discussed.

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High quality CsPbBr3 single crystals suitable for use in γ-ray detection are grown by the vertical Bridgman method and an optimized single crystal is proved to meet the basic requirement for high-energy nuclear radiation detection.

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Sub-micron a-ZnO epilayers (12 to 770 nm) grown on r-sapphire by MOCVD have been analysed using SEM, HRXRD, UPS, XPS and HRTEM. The distortion of the unit cell has been determined and the consequent strain shows a transition from an inelastic to an elastic state, separated by a critical thickness; a method to experimentally determine this critical thickness is given.

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The structural modeling of the CdYb quasicrystal was carried out in real space with the Ammann–Kramer–Neri tiling. The structural refinement is performed for two independent models where the origin of the tiling obtained by the projection method is set in the vertex or the body center of the 6D unit cell.

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Anisotropic displacement parameters for K1 atoms and the interatomic distances in the crystal structure of Rochelle salt were refined based on single-crystal X-ray diffraction at multiple temperatures on cooling from 308 to 100 K across the high-temperature paraelectric ↔ ferroelectric ↔ low-temperature paraelectric phase transitions points. Data add to the understanding of the structural distortions and disorder accompanying these transitions and suggest that the high-temperature and the low-temperature paraelectric phases are probably the same phase.

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Three-dimensional electron diffraction is comprehensively used to characterize different specimens of commercial clinkers for cement. The crystallographic analysis has enabled the crystal structure determination of belite α′H as an incommensurate modulated structure with q ≃ 0.376a* and superspace group Pnma(α00)0ss.

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The methods of synthesis and structures of the derivatives of terphenyl di­carb­oxy­lic acid are described. These compounds are promising ligands for metal–organic frameworks.

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A series of novel KSrY1–xErx(BO3)2 (x = 0–1) phosphors, emitting near-infrared radiation, was synthesized by solid-state methods. A strong emission of Er3+ electron transition 4I13/24I15/2 was detected within the 1529–1549 nm range.

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The structure of [Rb(18-crown-6)][SbCl6] is studied under high pressure. This sample serves as a compression model, demonstrating the influence of both attractive London dispersion forces and repulsive forces in the crystal affecting its behavior under extreme pressure.

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The crystal structure in space group R3c in a high-temperature polymorph of SrZr4P6O24 and CaZr4P6O24 was solved with Fourier difference mapping. The thermal expansion tensors for several NaZr2P3O12-type materials were measured from 25 to 1500°C and crystallographic thermal expansion mechanisms investigated.

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