Elastic and piezoelectric properties of β-glycine – a quantum crystallography view on intermolecular interactions and a high-pressure phase transition

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.

Study on the vertical Bridgman method of melt-grown CsPbBr₃ single crystals for nuclear radiation detection

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.

Elastic and inelastic strain in submicron-thick ZnO epilayers grown on r-sapphire substrates by metal–organic vapour phase deposition

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.

The physical space model of the Tsai-type quasicrystal

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.

Structural changes in Rochelle salt on phase transitions revisited in a multi-temperature single-crystal X-ray diffraction study

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.

Three-dimensional electron diffraction on clinkers: the belite α′_H incommensurate modulated structure

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.

Effect of a halogen bond on the crystal structure of terphenyldi­carb­oxy­lic acid derivatives

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

Growth, crystal structure and IR luminescence of KSrY_1–xEr_x(BO₃)₂

A series of novel KSrY_1–xEr_x(BO₃)₂ (x = 0–1) phosphors, emitting near-infrared radiation, was synthesized by solid-state methods. A strong emission of Er³⁺ electron transition ⁴I_13/2 → ⁴I_15/2 was detected within the 1529–1549 nm range.

Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl₆] under high pressure

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.

Crystal structure solution and high-temperature thermal expansion in NaZr₂(PO₄)₃-type materials

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.

Solid State Materials Chemistry