issue contents

ISSN: 2052-5206

October 2023 issue

Highlighted illustration

Cover illustration: Crystal structure of oxoborates of the ludwigite group represented in terms of oxo-centered polyhedra in comparison with figures of thermal expansion tensor given at several temperatures. (Mg,Ti)-rich azoproite and Mg-rich ludwigite show positive expansion, while Fe-rich vonsenite exhibits a strong negative expansion due to a magnetism up to ∼120 K and a damped one due to oxidation which occurs above ∼500 K [see Biryukov et al. (2023). Acta Cryst. B79, 368–379].

scientific commentaries

link to html
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.

research papers

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

link to html
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.

link to html
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.

link to html
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).

link to html
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.

link to html
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.

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

link to html
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.

book reviews

Follow Acta Cryst. B
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds