Crystal growth, structure and infrared absorption of co-doped (Cr, Co, Fe):ZnSe single crystals

Using the high-pressure Bridgman method, (Cr, Co, Fe)-co-doped ZnSe optical crystals are grown for the first time, and their physical properties related to the crystal structure are investigated.

Incommensurately modulated structures of the M_1/8Pr_5/8MoO₄ (M = Li, Na, K) scheelites

The effect of cation substitutions in the scheelite-type framework is investigated to understand the ordering of M⁺/Pr³⁺ cations and vacancies in the structure. The incommensurately modulated crystal structures of the scheelite-based M_1/8Pr_5/8MoO₄ (M = Li, Na, K) phases were refined from synchrotron powder X-ray diffraction data.

Structure and properties of (Nd,Sr)(Al,Ta)O₃ (NSAT) substrate crystals

An emerging cubic substrate material (Nd,Sr)(Al,Ta)O₃ (NSAT) has been structurally and spectroscopically characterized revealing that the nominally cubic NSAT consists of partially developed cubic superstructure domains with doubled unit-cell parameter. The spectroscopic features are consequently broad due to this partial order.

Qu­antitative analysis of facet growth during directional solidification of salol

This study offers a comprehensive analysis of facet growth during directional solidification of salol, focusing on the dynamic evolution of the solid–liquid interface. A novel strategy was developed to identify the crystallographic nature of the observed facets, whose growth is mainly governed by two-dimensional nucleation, with deviations attributed to competitive growth processes.

Unravelling superstructure and electronic ordering in LiNiO₂ bulk single crystals grown by optical floating zone technique

A breakthrough in the first successful single-crystal growth of LiNiO₂ using the floating zone technique is reported. The as-grown single-crystal quality has been thoroughly analysed using laboratory and high-energy X-rays. Superlattice reflections are found, clearly seen using the laboratory diffractometer and resonant elastic X-ray scattering.

Crystalline mate strategy for berberine hydro­chloride: solvent-polarity-tuned co-crystallization

Two co-crystals of Ag₃Pz₃ and berberine hydro­chloride were obtained by the crystalline mate strategy. The work provides valuable mechanistic clues for the rational design of multi-component co-crystals and the efficient preparation of ionic co-crystals from natural products.

Structure evolution and high-temperature luminescence versus negative thermal expansion of Ho,Tm-doped Yb₂Mo₃O₁₂ crystals

Phase transformations and the nature of negative thermal expansion (NTE) was studied at the atomic level using in-situ single-crystal and powder X-ray diffraction of Ho,Tm-doped Yb₂Mo₃O₁₂ crystals grown by the flux-melt technique. The thermally enhanced emission was attributed to the material's NTE. The high-temperature luminescence study shows the potential of Yb³⁺, Ho³⁺, Tm³⁺-codoped crystalline systems for developing a highly sensitive ratiometric optical thermometer by exploiting efficient energy transfer.

The Ammann–Kramer–Neri tiling model of a P-ZnMgEr Bergman-type quasicrystal based on in-house X-ray diffraction

A structural solution is presented of a primitive icosahedral ZnMgEr quasicrystal representing the Bergman-type family. The structure model is based on atomic decoration of the Ammann–Kramer–Neri tiling.

Synthesis of g-C₃N₄/TiO₂-based photocatalysts for hydrogen production from organic substrates

Development of a synthesis approach for g-C₃N₄/TiO₂ composite photocatalysts based on laboratory-prepared TiO₂ for H₂ evolution.

Mechanistic insight into the effect of tacticity of poly(methyl methacrylate) on crystallization of amorphous griseofulvin: excluding monomer and end-group effects

By controlling the tacticity of PMMA, the glass transition temperature of polymers is studied as an independent factor, while factors such as intermolecular interactions, molecular weight and end-group effects are excluded. The relationship between liquid dynamics and crystallization reveal that the effect of isotactic and atactic forms of PMMA on the crystal growth can be mainly attributed to a change in global mobility, while a decrease in global mobility cannot fully explain the inhibitory effects of syndiotactic PMMA on the crystallization of griseofulvin.

Sodium do­decyl sulfate induced formation of a messy structure methane hydrate: a molecular dynamics simulation study

The molecular dynamics method was used to confirm that SDS can act as a hydrate promoter, and it was demonstrated that SDS causes the structure of hydrates to be different from the standard Type I structure.

Dehydration, polymorphism and ionic conductivity of sodium hypodiphosphates

Hydrated sodium hypodiphosphates, Na_x(H_4–xP₂O₆)·nH₂O (x = 1–3) were obtained by solution crystallization. Post-crystallization dehydration was used to obtain new crystalline anhydrous forms, which were characterized in terms of ionic conductivity.

Understanding and rationalizing the structure of ionic solids by computational application of Beck's extended coordination number rule

Crystal chemical rules are powerful tools to understand and rationalize inorganic crystal chemical structures. Using an automated approach, Beck's extended coordination number rule is proven to correctly rationalize the coordination within 82.2% of all ternary fluorides.

Correcting long-range electrostatic interactions in multiple hydrogen-bonded systems by experimental electron density

Energy decomposition analysis of experimental electron density provides a benchmark for theoretical methods that accurately describe long-range electrostatic interactions

Three polytypes of lapachol, a natural pigment with promising pharmacological properties. Corrigendum

Corrigendum to the article by Di Benedetto et al. [(2026). Acta Cryst. B82, 54–60].