In data we trust: X-ray diffraction experiments for charge density investigations

A short commentary is given on the paper by Vosegaard et al. [Acta Cryst. (2023), 79, 380–391], which compares charge density models derived from four datasets measured on conventional diffractometers with the results of a high-quality dataset from SPring-8.

Crystal and magnetic structures of R₂Ni₂In compounds (R = Tb and Ho)

Magnetic structures in R₂Ni₂In (R = Tb, Ho) are determined from powder neutron diffraction. The results from heat capacity measurements for Ho₂Ni₂In are also presented.

Structural insight into the cooperativity of spin crossover compounds

Macroscopic physical properties are correlated with microscopic structural changes in the orthorhombic and monoclinic polymorphs of the spin crossover compound [Fe(PM-BiA)₂(NCS)₂] by employing single crystal X-ray diffraction, magnetization and DSC measurements. Focus is given on the kinetic behavior and a theoretical model is proposed for the calculation of the non-equilibrium spin-phase fraction.

Crystal structure refinement, low- and high-temperature X-ray diffraction and Mössbauer spectroscopy study of the oxoborate ludwigite from the Iten'yurginskoe deposit

The crystal structure and thermal behavior of ludwigite (Mg,Fe²⁺,Mn)₂(Fe³⁺,Al,Mg)O₂(BO₃) from the Iten'yurginskoe deposit (Chukotka, Russia) are investigated for the first time in the range 80–1650 K. A comparison of the thermal behavior of Mg–Fe oxoborates of the ludwigite group, namely azoproite, vonsenite and ludwigite, is provided.

Comparative study of conventional and synchrotron X-ray electron densities on molecular crystals

Four electron density quality single crystal X-ray diffraction datasets on molecular crystals of melamine were obtained from both state-of-the-art laboratory instruments (Rigaku Synergy with Ag Kα and Mo Kα, Stoe Stadivari with Mo Kα) and an older X-ray diffractometer (Oxford Diffraction Supernova with Mo Kα) and the data quality and electron density models were compared with results from a high-quality synchrotron dataset (SPring-8).

Bromine versus chlorine substituent in breathing crystals of a copper(I) coordination compound with a triazolamine Schiff base

The article presents how changes in the structure of ligands based on 4-amino-1,2,4-triazole affect the sorption properties of their copper(I) coordination compounds.

An approach to investigate the crystallographic unit cell of human tooth enamel

A hexagonal hydroxyapatite (HAP) unit cell was simulated with substitution of OH⁻, CO₃²⁻, Mg²⁺ and Na⁺ ions. Simulated electron diffraction patterns of the generated structures show similar characteristics to those of human tooth enamel.

Effect of pre-rolling aging treatment on evolutions of the microstructure and the texture of aluminium alloy 7005 subjected to heavy cold rolling

The progress of aging before rolling of AA7005 causes a decrease in the intensity of the texture induced by the rolling.

The hydrogen-bond network in sodium chloride tridecahydrate: analogy with ice VI

The hydrogen-bonded structure of sodium chloride trideca­hydrate, NaCl·13(H, D)₂O, has been determined at 1.7 GPa and 298 K by single-crystal neutron diffraction. Its hydrogen-bond network is analogous to that in ice VI.

Chalcogen Chemistry: Fundamentals and Applications