New Section Editor of Acta Crystallographica, Section B

Introducing the new Section Editor of Acta Crystallographica Section B.

Elucidating the nature of chemical bonds in a coordination compound through quantum crystallographic techniques

Investigations simultaneously involving multiple techniques of quantum crystallography could be very useful to prove the consistency of obtained results or to highlight different facets of the same scientific phenomenon or problem. Pinto et al. [Acta Cryst. (2023), B79, 282–296] exploit three different quantum crystallographic techniques (Hansen & Coppens multipole model refinement, QTAIM analysis of the electron density, and Hirshfeld atom refinement) to characterize the nature of chemical bonds and of intra/intermolecular interactions in an organometallic compound.

A new ternary derivative of the Laves phases in the Mg–Co–Ga system

The crystal structures of three new MgCo_2–xGa_x (x = 1.0), Mg_1–xCo_2–yGa_x+y (x = 0.06, y = 0.64), and Mg_1–xCo_2–yGa_x+y (x = 0.10, y = 0.16) phases were determined using X-ray diffraction. These three structures are new ternaryderivatives of the Laves phases.

Structure of the new iron(II) oxalate potassium salt K₂Fe[(C₂O₄)₂(H₂O)₂]·0.18H₂O

The crystal structure of a new Fe^II-based metal organic framework of composition K₂Fe[(C₂O₄)₂(H₂O)₂]·0.18H₂O is resolved using single crystal and powder X-ray diffraction.

A fresh view on the structure and twinning of owyheeite, a rod-polytype and twofold superstructure

Owyheeite crystallizes as a twofold superstructure. The systematic twinning is due to the rod-polytype character of the structure.

Experimental charge density and topological analysis of tetra­aquabis(hydrogenmaleato)nickel(II): a comparison with Hirshfeld atom refinement

A comparison between experimental charge density analysis and the Hirshfeld atom refinement procedure for a transition metal coordination compound is given.

New data on the crystal chemistry of the natural two-layer aluminosilicates latiumite and tuscanite

The crystal chemistry of the natural microporous two-layer aluminosilicates latiumite and tuscanite is re-investigated. These 2D zeolites could be considered as prototypes of advanced materials with ion-exchange properties and ion/proton conductivity.

Effect of La doping on the structure and cyclo­idal spin ordering in multiferroic BiFeO₃

A series of Bi_1–xLa_xFeO₃ nanocrystalline samples with 0.00 ≤ x ≤ 0.30 was synthesized by the sol–gel method. X-ray diffraction studies revealed composition-driven structural transformation from rhombohedral R3c via cubic Pm3m to orthorhombic Pbam structure, while the analysis of Mössbauer spectra allowed the observation of the gradual deterioration of cyclo­idal spin ordering accompanied by the increase of magnetization.

Synthesis, crystal structure and phase transitions of novel hybrid perovskite: bis­(1,2-di­amino­propane) di-μ-chloro-bis­[di­aqua­dichloro­manganate(II)] dichloride

The synthesis and crystal structure are reported of a new hybrid perovskite with manganese(II) for which differential scanning calorimetry (DSC) shows two endothermic main peaks at T = 366 K and T = 375 K. These phase transitions have been investigated using powder diffraction which confirms the presence of a major transition around 363 K in relation to the release of the two water molecules coordinated to Mn.

As predicted and more: modulated channel occupation in YZn_5+x

The superspace approach is used to determine the structure of a modulated form of YZn_5+x (x = 0.217), which is an ordered variant of the previously described EuMg_5+x-type structure, with its channels containing disordered Zn atoms. The details of the pattern align closely with earlier predictions based on DFT-chemical pressure analysis of ordered models.

The structure of magnesium stearate trihydrate determined from a micrometre-sized single crystal using a microfocused synchrotron X-ray beam

The structure of the pharmaceutical lubricant magnesium stearate has been determined from micrometre-sized single crystals at a fourth-generation synchrotron.

Gladstone–Dale compatibility, electronic polarizability and vibrational spectroscopy of minerals and inorganic compounds with V⁴⁺O and V⁴⁺O₂ vanadyl groups

There is a clear negative correlation between the vanadyl bond lengths and wavenumbers of the bands of V—O stretching vibrations in infrared spectra. For most minerals with vanadyl bonds there is good agreement between measured refractive indices and those calculated based on the polarizability concept.