Screening cells for crystals: a synergistic approach

Lahey-Rudolph and co-workers [J. Appl. Cryst. (2020), 53, 1169–1180] have reported a rapid and sensitive method to screen for crystals in cellulo – a welcome addition to the structural biology toolbox.

Demonstration of electron diffraction from membrane protein crystals grown in a lipidic mesophase after lamella preparation by focused ion beam milling at cryogenic temperatures

Electron diffraction experiments on crystals of membrane proteins grown in lipidic mesophases have not been possible owing to a thick layer of viscous crystallization medium around the crystals. Here it is shown that focused ion beam milling at cryogenic temperatures (cryo-FIB milling) can remove the viscous layer, and high-quality electron diffraction on a FIB-milled lamella of a bacteriorhodopsin 3D crystal is demonstrated.

One-step synthesis of novel Cu₂ZnNiO₃ complex oxide nanowires with tuned band gap for photoelectrochemical water splitting

A novel one-step synthesis of Cu₂ZnNiO₃ complex oxide and its utilization in solar water splitting is described.

An operando spatially resolved study of alkaline battery discharge using a novel hyperspectral detector and X-ray tomography

An experimental setup is described that uses a hyperspectral imaging detector to collect time-resolved X-ray diffraction information from a complete discharging AA size battery, using a commercial alkaline Zn–Mn cell as a proof of concept. The work is complemented by time-resolved in situ X-ray computed tomography of an identical battery cell.

First ptychographic X-ray computed tomography experiment on the NanoMAX beamline

Documentation is presented for the first ptychographic X-ray computed tomography experiment on the NanoMAX beamline, along with a quantitative analysis of the reconstruction quality and a discussion of possibilities for future improvements.

In situ high-temperature X-ray diffraction study of Sc-doped titanium oxide nanocrystallites

Rietveld and Debye function analyses of X-ray diffraction data, combined with high-resolution transmission electron diffraction and nitrogen sorption techniques, were used to investigate annealed 4 at.% Sc-doped anatase.

Application of precise neutron focusing mirrors for neutron reflectometry: latest results and future prospects

A large-area focusing supermirror manufactured with ultra-precision machining has been employed at the SOFIA reflectometer at the J-PARC Materials and Life Science Experimental Facility, and a gain of approximately 100% in the neutron flux was achieved. For future upgrade, optics using the focusing mirror for multi-incident-angle neutron reflectometry are proposed, in order to reveal evolutions of interfacial structures for operando measurements with a wide reciprocal space.

Unravelling the crystal structure of Nd_5.8WO_12−δ and Nd_5.7W_0.75Mo_0.25O_12−δ mixed ionic electronic conductors

The crystal structures of non-substituted and Mo-substituted neodymium tungstates are described in detail through neutron diffraction and high-resolution X-ray diffraction. Combined X-ray and neutron diffraction refinements and electron probe micro-analysis were employed to locate Mo atoms in the crystal structure of Nd_6−yW_1−zMo_zO_12−δ (z = 0, 0.25), while X-ray absorption spectroscopy in the near-edge regions confirmed no changes in the oxidation states of Nd and W.

Electric-field-intensity-modulated scattering as a thin-film depth probe

Grazing-incidence X-ray scattering is a common technique to elucidate nanostructural information for thin-film samples, but depth-resolving this nanostructure is difficult using a single or few images. An in situ method to extract the film thickness, the index of refraction and depth information using scattering images taken across a range of incident angles is presented.

Instrumentation and experimental procedures for robust collection of X-ray diffraction data from protein crystals across physiological temperatures

This paper describes a widely applicable protein X-ray crystallography method that enables the collection of high-quality diffraction data from single crystals across a wide range of temperatures at and above room temperature.

Multiple epitaxial lateral overgrowth of GaN thin films using a patterned graphene mask by metal organic chemical vapor deposition

A fully merged GaN thin film with a thickness of only several hundred nanometres has been grown by multiple epitaxial lateral overgrowth (multiple-ELOG) using a graphene mask that decomposes during the growth process. A mechanism for multiple-ELOG through self-decomposing graphene due to GaN template decomposition during homoepitaxy is proposed.

New capabilities for enhancement of RMCProfile: instrumental profiles with arbitrary peak shapes for structural refinements using the reverse Monte Carlo method

Algorithms and procedures are reported that account for instrumental profiles with arbitrary peak shapes in structural refinements using the reverse Monte Carlo method as implemented in the RMCProfile software.

High-pressure sapphire capillary cell for synchrotron single-crystal X-ray diffraction measurements to 1500 bar

An in situ single-crystal X-ray diffraction sapphire capillary pressure cell capable of generating 1500 bar (150 MPa) of pressure is presented and tested by comparing the compressibility of the small organic molecule hexa­methyl­enetetramine in its hydrogenated and deuterated forms.

Anisotropic thermal expansion of the acetyl­ene–ammonia co-crystal under Titan's conditions

The acetyl­ene–ammonia co-crystal exhibits significant anisotropic thermal expansion under conditions relevant to Saturn's icy moon Titan. The expansion is found to occur primarily along the c axis of the orthorhombic structure (about 2% extension over the temperature range 85–120 K).

DLSR: a solution to the parallax artefact in X-ray diffraction computed tomography data

A new reconstruction approach is presented that can directly yield physico-chemical images and overcome the parallax problem in X-ray diffraction computed tomography experiments.

Utilizing a unified structure model in (3 + 1)-dimensional superspace to identify a homologous phase (Ga_1−αAl_α)₂O₃(ZnO)_m in ZnO-based thermoelectric composites

A homologous compound (Ga_1−αAl_α)₂O₃(ZnO)_m of a long-period structure in thermoelectric composite materials was analysed by a unified structure model in (3 + 1)-dimensional superspace.

Fast reconstruction tools for ptychography at Sirius, the fourth-generation Brazilian synchrotron

A scientific computing approach is described for ptychographic reconstructions at Sirius, the new fourth-generation Brazilian synchrotron.

Determination of hard X-ray polarization from two-dimensional images

An estimate of synchrotron hard X-ray incident beam polarization is obtained by partial two-dimensional image masking followed by integration.

Nanoscale imaging of shale fragments with coherent X-ray diffraction

Combined coherent X-ray diffraction imaging and wide-angle X-ray diffraction is demonstrated to study the morphology, internal structure and mineralogy of shale fragments. Estimates of the unconnected nanoscale pore structure of shale microparticles are obtained.

Percus–Yevick structure factors made simple

A simple formulation of the structure factor for the dispersion of polydisperse spheres in the Percus–Yevick approximation is presented. Full analytical expressions for standard radius distributions are obtained (Schulz, normal, inverse Gaussian). Recent experimental structure factors from Apollonian emulsions and from dense systems of repulsive polydisperse silica spheres are discussed.

Teaching periodicity and aperiodicity using 3D-printed tiles and polyhedra

The use of 3D-printed tiles and polyhedra to teach periodicity, aperiodicity and related crystallographic concepts is described.

The Cambridge Structural Database in chemical education: analysis of hydrogen-bonded networks in salts of hexa­aqua metal ions with organic counter-ions

This contribution describes a ten-year experience of teaching a computer-based inorganic chemistry laboratory course to undergraduates. The course aims to introduce students to structure analysis of simple inorganic molecular solids with a pragmatic approach. Atomic coordinates of molecular crystals and advanced visualization methods available in the Cambridge Structural Database and its associated software allow students to link newly learned crystallographic skills with knowledge acquired in earlier basic courses in inorganic, organic and physical chemistry.

speckle-tracking: a software suite for ptychographic X-ray speckle tracking

The program speckle-tracking is described, an open-source software suite for performing wavefront metrology and sample imaging from projection in-line holograms of a sample.

EXEQ and InEXEQ: software tools for experiment planning at the Extreme Environment Diffractometer

EXEQ/InEXEQ software is a dedicated tool for single-crystal orientation at the HFM-EXED neutron scattering facility, and also a mandatory step of the proposal submission process.

MaXrd updated with emphasis on model construction and reciprocal-space simulations

Added functionality makes MaXrd more versatile with the ability to visualize crystal structures and domains. New tools make the construction of custom structures possible, particularly inclusion compounds, as well as the acquisition of simulated maps of reciprocal space.

Laboratory-modified powder diffraction specimen holder for filter paper

A simple way to modify powder diffraction specimen holders to allow for the presentation of filter papers is given.

Marilyn Morgan Olmstead (1943–2020)

Nicolae C. Popa (1945–2020)

Defining and Measuring Nature. The Make Of All Things