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Gold by Rivafloors Showcases the Beauty of European Oak

The engineered wood collection bridges contemporary and traditional design through eight colors. 




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Study of physico-mechanical properties of concretes based on palm kernel shells originating from the locality of Haut Nkam in Cameroon

This study is based on the use of palm kernel shells as aggregate in the manufacture of concrete. Several (0, 25, 50, 75 and 100%) substitutions were used in the volume fraction of the aggregates. In order to evaluate the effect of this substitution, the mechanical properties at 7 and 28 days for compression was determine, 28 days for bending and then the physical properties of fresh and har...





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Assessing the health status of migrants upon arrival in Europe: a systematic review of the adverse impact of migration journeys

Numerous studies have explored the impact of pre- and post-migration factors on the overall health of migrant populations. The objective of this study is to enhance our understanding of additional determinants… Read the full article ›

The post Assessing the health status of migrants upon arrival in Europe: a systematic review of the adverse impact of migration journeys was curated by information for practice.



  • Meta-analyses - Systematic Reviews


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Investigators believe Wisconsin kayaker faked his own death before fleeing to eastern Europe

Investigators say they believe a Wisconsin kayaker missing since mid-August faked his death before fleeing to Europe. 




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Travel: In Europe, 3 places to visit this fall

As the calendar ushers in fall, now is the perfect time to visit Europe.




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Latest scores in Europe

With the Russian Championship frozen out until March, the main focus this week is on the English Premiership, where Chelsea FC recovered a buffer of two points against main rival Manchester City. In Spain, Cristiano Ronaldo's Real Madrid leads as the striker waits to hear whether he has won his second successive Ballon d'Or and in Serie A in Italy has become a two-horse race. I present this year the latest updates in four competitions: the National Championships, the Champions and Europa Leagues and the Qualifiers for UEFA 2016 in France, as well as all the matches played for our readers to follow the evolution of the competitions. UEFA National Championships 2014-2015




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Moldova's European referendum: The people should save their nation from EU claws

Marginal result with diaspora fake votes calls the legitimacy of the constitutional referendum in Moldova into question. The next two weeks before the second round of the presidential elections will be dangerous. Constitutional referendum in Moldova is illegitimate The EU spent huge amounts of money to promote the idea of European course in Moldova. In a nutshell, the essence of this idea is about the "Anti-Russia" project: Visits of European ambassadors, "Citizens for Europe" rallies, campaign trips in blue minibuses, all kinds of concerts demonstrations and other events with blue flags. The pro-Western media machine was trying to convince the Moldovans that the idea of the European integration would receive the support of 70 percent of voters.




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Out of the data jungle: More interoperability for resilient supply chains

By Philipp Pfister, Chief Customer Experience Officer at Transporeon (a Trimble company)

There’s no denying that the transport sector is a prominent cog across most global industries. As the saying goes, “There is no production without procurement logistics, and no trade without delivery traffic.”




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Infinigate and CYREBRO expand partnership across Europe

Infinigate Group, the technology platform and trusted advisor in cybersecurity, cloud and network infrastructure, has expanded its partnership with CYREBRO, an AI-native Managed Detection and Response (MDR) solution, bringing state-level SOC services to MSPs and MSSPs across Europe, through the Infinigate Cloud marketplace.




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Rising e-commerce packaging costs and the European Union’s new Packaging & Packaging Waste Regulations (P&PWR) require careful consideration

By Jo Bradley, Business Development Manager at Sparck Technologies.

Companies can be schizophrenic about packaging and its costs. On the one hand, product packaging is closely scrutinised – a battleground between buyers seeking to drive costs down and marketers looking for ever greater impact and ‘shelf appeal’.




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SATO Europe launches RAIN RFID asset management solution ASETRA to boost operational efficiency

SATO has launched its RAIN RFID1-based asset management solution ASETRA in Europe. The easy to deploy system comprising RFID tags, RFID printers and desktop reader/writers accurately and easily tracks and manages assets through the supply chain.




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KIOSK Information Systems Europe boosts business development and customer support with new staff

The Posiflex Group has responded to rising demand from customers in Europe by recruiting a seasoned executive to boost the European sales and marketing operations in its KIOSK subsidiary, a manufacturer of kiosks and interactive displays.




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ACS Postal Services partners with BIXOLON to enhance European courier services with mobile printing solutions

BIXOLON Europe GmbH, a subsidiary of BIXOLON, the manufacturer of advanced receipt, label and mobile printers, has entered into a partnership with ACS Postal Services (ACS), the Greek courier service provider.



  • Print and Label

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Brother International Europe and Cool Earth celebrate their 15 year partnership

This Earth Day, Brother International Europe is celebrating 15 years since first joining forces with the rainforest conservation charity, becoming their longest-serving commercial partner.




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Russia destroys Europe's largest underground gas storage facility in Ukraine

Ukraine dreamed of becoming "the key to the security of Europe's gas supply,” the gas hub of Europe. Moscow found this unnecessary. Ukraine wants to become EU's gas hub According to Deputy Minister of Energy of Ukraine Svetlana Grinchuk, imports usually account for up to 10 billion cubic meters of the total volume of Ukrainian storage facilities of 31 billion cubic meters. Ukraine stores gas from Poland, Norway, Hungary, and other countries, which they receive even from the Caspian region, as well as liquefied natural gas (LNG), which comes to Europe from the United States. "The EU aims to phase out the use of Russian gas and reduce the share of fossil fuels in the energy mix. Ukraine can help achieve these goals," Grinchuk told Euractiv.




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US puppets in Europe nervous as Ukraine may collapse by September

The Ukrainian army will be able to hold out until the beginning of autumn at most. Most likely, though, everything will collapse in June-July, observers believe. France Presse wrote that Zelensky's office repeatedly used Western weapons to strike the Russian Federation. For the last time, Kyiv struck targets in the Krasnodar Territory (Southern Russia). The US has gauthorised Kyiv to use US-made weapons to strike deep into Russia too. Is further escalation with the West coming? "The real strategy of the West is logical and consistent. They understand it in the West very well that they will have to switch to strategic defense, because there are not enough troops and losses have been growing catastrophically. The Ukrainian army lacks weapons and military equipment. Therefore, they want the Armed Forces of Ukraine to hold out, and this is only possible by switching to strategic defense. In other words, they want Ukrainian to maintain relative stability at least for several months,” Director of the Center for Military-Political Studies of MGIMO Alexey Podberezkin told Ukraina.ru publication.




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ISTA European Packaging Symposium will bring together global transport packaging leaders to focus on e-commerce, sustainability and more

The International Safe Transit Association (ISTA), the industry developer of pre-shipment performance testing standards for packaged products, has announced programming for its annual European Packaging Symposium, which will be held 8-9 October at the Le Méridien Frankfurt in Frankfurt, Germany.




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UK to host Europe’s largest ethnic minority supplier diversity conference

Minority Supplier Development UK (MSDUK) and the European Supplier Diversity Program (ESDP) have announced the final opportunity to register for 2024 Business Diversity Connect, the ethnic minority business (EMB) supplier diversity conference.



  • Exhibitions and Events
  • Retail Supply Chain

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Europe's largest vaccination station opens in Moscow

The largest vaccination station in Europe was opened in Moscow on the territory of the Gostiny Dvor shopping mall, Moscow Mayor Sergei Sobyanin said.  According to the message posted on Sobyanin's website, the station can take up to 6,000 people a day. This is the largest vaccination centre in Moscow, Sobyanin said.  The mayor added that the vaccination station in Moscow's iconic GUM department store on Red Square does not accommodate those who want to get vaccinated, nor is it possible to ensure social distance there due to small premises. The new vaccination station in Gostiny Dvor was opened instead of the one in GUM. 




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Monkeypox on the rise in Europe and on the way to Russia

The likelihood for monkeypox to appear in Russia is small, but the infection may find itself in Russia anyway, epidemiologists say. The pandemic potential of the disease is quite low. Representatives for French and Belgian authorities reported first cases of monkeypox infection in humans. According to the French Ministry of Health, the first case of the infection was recorded in the metropolitan region of Ile-de-France. Monkeypox was detected in a 29-year-old man. The individual was put in self-isolation. The patient says that he does not see any complications in how the illness develops. Monkeypox is prevalent in Western and Central Africa. The virus spreads mostly among animals such as rodents and non-human apes. It can be contagious to humans as well.







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Symmetry, magnetic transitions and multiferroic properties of B-site-ordered A2MnB'O6 perovskites (B' = [Co, Ni])

A comparative description is presented of the symmetry and the magnetic structures found in the family of double perovskites A2MnB'O6 (mainly B' = Co and some Ni compounds for comparative purposes).




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Morphological control for hollow rod crystals of a photochromic di­aryl­ethene on spherulites by surface properties of substrates

1,2-Bis(3,5-di­methyl-2-thienyl)perfluoro­cyclo­pentene formed its own spherulites by sublimation onto the hydro­philic surfaces of the (0001) planes of α-quartz and sapphire substrates. The formation of different morphologies of these spherulites was attributed to the surface properties of each substrate. Depending on the morphology of the spherulites, hollow rod crystals with cross sections of different sizes and shapes and branching structures were generated on the surfaces of the spherulites.




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Morphological control for hollow rod crystals of a photochromic diarylethene on spherulites by surface properties of substrates

Sublimation methods utilizing the surface properties of substrates can address the challenge of controlling hollow morphologies in rod crystals. Spherulites were formed on the hydrophilic surface of the (0001) planes of α-quartz and sapphire substrates by sublimation of 1,2-bis(3,5-dimethyl-2-thienyl)perfluorocyclopentene (1a). Various types of hollow morphologies, distinguished by the size and shape of their cross sections and by the presence or absence of branching structures, were formed separately on α-quartz and sapphire substrates. Such precise control of the hollow morphologies was attributed to the wettability of each substrate, leading to the formation of spherulites of 1a. In addition, it was indicated that the formation process of the surface morphologies of spherulites was associated with the hollow morphologies of rod crystals of 1a.




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The effects of low boron incorporation on the structural and optical properties of BxGa1−xN/SiC epitaxial layers

The effect of boron in BxGa1−xN/SiC heteroepitaxy was established by X-ray diffraction reciprocal-space maps on symmetric 0002 and asymmetric 11 {overline 2} 4 reflections. The density of screw and edge threading dislocations was quantified in the framework of the mosaic model.




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The effects of low boron incorporation on the structural and optical properties of BxGa1−xN/SiC epitaxial layers

BGaN epilayers with boron contents up to 5.6% were grown on SiC substrates by metal–organic chemical vapor deposition. The effects of boron incorporation on the structural and optical properties were studied by high-resolution X-ray diffraction (XRD), atomic force microscopy (AFM), Raman spectroscopy and photoluminescence (PL) spectroscopy. XRD reciprocal-space maps around the symmetric 0002 and asymmetric 11 {overline 2} 4 reflections allowed evaluation of the lattice constants and lattice mismatch with respect to the underlying substrate. XRD rocking curves and AFM measurements indicated the mosaic microstructure of the epilayer. The impact of boron content on crystallite size, tilt and twist is evaluated and the correlation with threading dislocation density is discussed. The deterioration of optical properties with increasing boron content was assessed by Raman and PL spectroscopy.




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X-ray beam diagnostics at the MID instrument of the European X-ray Free-Electron Laser Facility

The Materials Imaging and Dynamics (MID) instrument at the European X-ray Free-Electron Laser Facility (EuXFEL) is equipped with a multipurpose diagnostic end-station (DES) at the end of the instrument. The imager unit in DES is a key tool for aligning the beam to a standard trajectory and for adjusting optical elements such as focusing lenses or the split-and-delay line. Furthermore, the DES features a bent-diamond-crystal spectrometer to disperse the spectrum of the direct beam to a line detector. This enables pulse-resolved characterization of the EuXFEL spectrum to provide X-ray energy calibration, and the spectrometer is particularly useful in commissioning special modes of the accelerator. Together with diamond-based intensity monitors, the imager and spectrometer form the DES unit which also contains a heavy-duty beamstop at the end of the MID instrument. Here, we describe the setup in detail and provide exemplary beam diagnostic results.




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Hard X-ray operation of X-ray gas monitors at the European XFEL

X-ray gas monitors (XGMs) are operated at the European XFEL for non-invasive single-shot pulse energy measurements and average beam-position monitoring. The underlying measurement principle is the photo-ionization of rare gas atoms at low gas pressures and the detection of the photo-ions and photo-electrons created. These are essential for tuning and sustaining self-amplified spontaneous emission (SASE) operation, machine radiation safety, and sorting single-shot experimental data according to pulse energy. In this paper, the first results from XGM operation at photon energies up to 30 keV are presented, which are far beyond the original specification of this device. Here, the Huge Aperture MultiPlier (HAMP) is used for single-shot pulse energy measurements since the standard X-ray gas monitor detectors (XGMDs) do not provide a sufficient signal-to-noise ratio, even at the highest operating gas pressures. A single-shot correlation coefficient of 0.98 is measured between consecutive XGMs operated with HAMP, which is as good as measuring with the standard XGMD detectors. An intra-train non-linearity of the HAMP signal is discovered, and operation parameters to mitigate this effect are studied. The upper repetition rate limit of HAMP operation at 2.25 MHz is also determined. Finally, the possibilities and limits for future XGM operation at photon energies up to 50 keV are discussed.




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The effect of transport apertures on relay-imaged, sharp-edged laser profiles in photoinjectors and the impact on electron beam properties

In a photoinjector electron source, the initial transverse electron bunch properties are determined by the spatial properties of the laser beam on the photocathode. Spatial shaping of the laser is commonly achieved by relay imaging an illuminated circular mask onto the photocathode. However, the Gibbs phenomenon shows that recreating the sharp edge and discontinuity of the cut profile at the mask on the cathode is not possible with an optical relay of finite aperture. Furthermore, the practical injection of the laser into the photoinjector results in the beam passing through small or asymmetrically positioned apertures. This work uses wavefront propagation to show how the transport apertures cause ripple structures to appear in the transverse laser profile even when effectively the full laser power is transmitted. The impact of these structures on the propagated electron bunch has also been studied with electron bunches of high and low charge density. With high charge density, the ripples in the initial charge distribution rapidly wash-out through space charge effects. However, for bunches with low charge density, the ripples can persist through the bunch transport. Although statistical properties of the electron bunch in the cases studied are not greatly affected, there is the potential for the distorted electron bunch to negatively impact machine performance. Therefore, these effects should be considered in the design phase of accelerators using photoinjectors.




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A 1D imaging soft X-ray spectrometer for the small quantum systems instrument at the European XFEL

A 1D imaging soft X-ray spectrometer installed on the small quantum systems (SQS) scientific instrument of the European XFEL is described. It uses movable cylindrical constant-line-spacing gratings in the Rowland configuration for energy dispersion in the vertical plane, and Wolter optics for simultaneous 1D imaging of the source in the horizontal plane. The soft X-ray fluorescence spectro-imaging capability will be exploited in pump–probe measurements and in investigations of propagation effects and other nonlinear phenomena.




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Diamond sensors for hard X-ray energy and position resolving measurements at the European XFEL

The diagnostics of X-ray beam properties has a critical importance at the European X-ray Free-Electron Laser facility. Besides existing diagnostic components, utilization of a diamond sensor was proposed to achieve radiation-hard, non-invasive beam position and pulse energy measurements for hard X-rays. In particular, with very hard X-rays, diamond-based sensors become a useful complement to gas-based devices which lose sensitivity due to significantly reduced gas cross-sections. The measurements presented in this work were performed with diamond sensors consisting of an electronic-grade single-crystal chemical-vapor-deposition diamond with position-sensitive resistive electrodes in a duo-lateral configuration. The results show that the diamond sensor delivers pulse-resolved X-ray beam position data at 2.25 MHz with an uncertainty of less than 1% of the beam size. To our knowledge this is the first demonstration of pulse-resolved position measurements at the MHz rate using a transmissive diamond sensor at a free-electron laser facility. It can therefore be a valuable tool for X-ray free-electron lasers, especially for high-repetition-rate machines, enabling applications such as beam-based alignment and intra-pulse-train position feedback.




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Comparing single-shot damage thresholds of boron carbide and silicon at the European XFEL

Xray free-electron lasers (XFELs) enable experiments that would have been impractical or impossible at conventional X-ray laser facilities. Indeed, more XFEL facilities are being built and planned, with their aim to deliver larger pulse energies and higher peak brilliance. While seeking to increase the pulse power, it is quintessential to consider the maximum pulse fluence that a grazing-incidence FEL mirror can withstand. To address this issue, several studies were conducted on grazing-incidence damage by soft X-ray FEL pulses at the European XFEL facility. Boron carbide (B4C) coatings on polished silicon substrate were investigated using 1 keV photon energy, similar to the X-ray mirrors currently installed at the soft X-ray beamlines (SASE3). The purpose of this study is to compare the damage threshold of B4C and Si to determine the advantages, tolerance and limits of using B4C coatings.




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Relationship between synthesis method–crystal structure–melting properties in co­crystals: the case of caffeine–citric acid

The influence of the crystal synthesis method on the crystallographic structure of caffeine–citric acid co­crystals was analyzed thanks to the synthesis of a new polymorphic form of the cocrystal. In order to com­pare the new form to the already known forms, the crystal structure of the new cocrystal (C8H10N4O2·C6H8O7) was solved by powder X-ray diffraction thanks to synchrotron experiments. The structure determination was performed using `GALLOP', a recently developed hybrid approach based on a local optimization with a particle swarm optimizer, particularly powerful when applied to the structure resolution of materials of pharmaceutical inter­est, com­pared to classical Monte-Carlo simulated annealing. The final structure was obtained through Rietveld refinement, and first-principles density functional theory (DFT) calculations were used to locate the H atoms. The symmetry is triclinic with the space group Poverline{1} and contains one mol­ecule of caffeine and one mol­ecule of citric acid per asymmetric unit. The crystallographic structure of this cocrystal involves different hydrogen-bond associations com­pared to the already known structures. The analysis of these hydrogen bonds indicates that the cocrystal obtained here is less stable than the co­crystals already identified in the literature. This analysis is confirmed by the determination of the melting point of this cocrystal, which is lower than that of the previously known co­crystals.




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The interoperability of crystallographic data and databases

Interoperability of crystallographic data with other disciplines is essential for the smooth and rapid progress of structure-based science in the computer age. Within crystallography and closely related subject areas, there is already a high level of conformance to the generally accepted FAIR principles (that data be findable, accessible, interoperable and reusable) through the adoption of common information exchange protocols by databases, publishers, instrument vendors, experimental facilities and software authors. Driven by the success within these domains, the IUCr has worked closely with CODATA (the Committee on Data of the International Science Council) to help develop the latter's commitment to cross-domain integration of discipline-specific data. The IUCr has, in particular, emphasized the need for standards relating to data quality and completeness as an adjunct to the FAIR data landscape. This can ensure definitive reusable data, which in turn can aid interoperability across domains. A microsymposium at the IUCr 2023 Congress provided an up-to-date survey of data interoperability within and outside of crystallography, expounded using a broad range of examples.




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The prediction of single-molecule magnet properties via deep learning

This paper uses deep learning to present a proof-of-concept for data-driven chemistry in single-molecule magnets (SMMs). Previous discussions within SMM research have proposed links between molecular structures (crystal structures) and single-molecule magnetic properties; however, these have only interpreted the results. Therefore, this study introduces a data-driven approach to predict the properties of SMM structures using deep learning. The deep-learning model learns the structural features of the SMM molecules by extracting the single-molecule magnetic properties from the 3D coordinates presented in this paper. The model accurately determined whether a molecule was a single-molecule magnet, with an accuracy rate of approximately 70% in predicting the SMM properties. The deep-learning model found SMMs from 20 000 metal complexes extracted from the Cambridge Structural Database. Using deep-learning models for predicting SMM properties and guiding the design of novel molecules is promising.




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Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure

A new polymorph of 1,3-diacetylpyrene has been obtained from its melt and thoroughly characterized using single-crystal X-ray diffraction, steady-state UV–Vis spectroscopy and periodic density functional theory calculations. Experimental studies covered the temperature range from 90 to 390 K and the pressure range from atmospheric to 4.08 GPa. Optimal sample placement in a diamond anvil cell according to our previously presented methodology ensured over 80% data coverage up to 0.8 Å for a monoclinic sample. Unrestrained Hirshfeld atom refinement of the high-pressure crystal structures was successful and anharmonic behavior of carbonyl oxygen atoms was observed. Unlike the previously characterized polymorph, the structure of 2°AP-β is based on infinite π-stacks of antiparallel 2°AP molecules. 2°AP-β displays piezochromism and piezofluorochromism which are directly related to the variation in interplanar distances within the π-stacking. The importance of weak intermolecular interactions is reflected in the substantial negative thermal expansion coefficient of −55.8 (57) MK−1 in the direction of C—H⋯O interactions.




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Structure–property relationship of a complex photoluminescent arylacetylide-gold(I) compound. I: a pressure-induced phase transformation caught in the act

A pressure-induced triclinic-to-monoclinic phase transition has been caught `in the act' over a wider series of high-pressure synchrotron diffraction experiments conducted on a large, photoluminescent organo-gold(I) compound. Here, we describe the mechanism of this single-crystal-to-single-crystal phase transition, the onset of which occurs at ∼0.6 GPa, and we report a high-quality structure of the new monoclinic phase, refined using aspherical atomic scattering factors. Our case illustrates how conducting a fast series of diffraction experiments, enabled by modern equipment at synchrotron facilities, can lead to overestimation of the actual pressure of a phase transition due to slow transformation kinetics.




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Tuning structural modulation and magnetic properties in metal–organic coordination polymers [CH3NH3]CoxNi1−x(HCOO)3

Three solid solutions of [CH3NH3]CoxNi1−x(HCOO)3, with x = 0.25 (1), x = 0.50 (2) and x = 0.75 (3), were synthesized and their nuclear structures and magnetic properties were characterized using single-crystal neutron diffraction and magnetization measurements. At room temperature, all three compounds crystallize in the Pnma orthorhombic space group, akin to the cobalt and nickel end series members. On cooling, each compound undergoes a distinct series of structural transitions to modulated structures. Compound 1 exhibits a phase transition to a modulated structure analogous to the pure Ni compound [Cañadillas-Delgado, L., Mazzuca, L., Fabelo, O., Rodríguez-Carvajal, J. & Petricek, V. (2020). Inorg. Chem. 59, 17896–17905], whereas compound 3 maintains the behaviour observed in the pure Co compound reported previously [Canadillas-Delgado, L., Mazzuca, L., Fabelo, O., Rodriguez-Velamazan, J. A. & Rodriguez-Carvajal, J. (2019). IUCrJ, 6, 105–115], although in both cases the temperatures at which the phase transitions occur differ slightly from the pure phases. Monochromatic neutron diffraction measurements showed that the structural evolution of 2 diverges from that of either parent compound, with competing hydrogen bond interactions that drive the modulation throughout the series, producing a unique sequence of phases. It involves two modulated phases below 96 (3) and 59 (3) K, with different q vectors, similar to the pure Co compound (with modulated phases below 128 and 96 K); however, it maintains the modulated phase below magnetic order [at 22.5 (7) K], resembling the pure Ni compound (which presents magnetic order below 34 K), resulting in an improper modulated magnetic structure. Despite these large-scale structural changes, magnetometry data reveal that the bulk magnetic properties of these solid solutions form a linear continuum between the end members. Notably, doping of the metal site in these solid solutions allows for tuning of bulk magnetic properties, including magnetic ordering temperature, transition temperatures and the nature of nuclear phase transitions, through adjustment of metal ratios.




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Synthesis and properties of Sr2La2NiW2O12, a new S = 1 triangular lattice magnet

Magnetic materials featuring triangular arrangements of spins are frequently investigated as platforms hosting magnetic frustration. Hexagonal perovskites with ordered vacancies serve as excellent candidates for two-dimensional triangular magnetism due to the considerable separation of the magnetic planes. In this work, the effects of chemical pressure on the ferromagnetic ground state of Ba2La2NiW2O12 by substitution of Ba2+ with Sr2+ to produce Sr2La2NiW2O12 are investigated. The two materials are characterized using synchrotron-based XRD, XANES and EXAFS in addition to magnetometry in order to correlate their crystal structures and magnetic properties. Both materials form in space group R3, yet as a result of the enhanced bending of key bond angles due to the effects of chemical pressure, the TC value of the magnetic Ni2+ sublattice is reduced from ∼6 K in Ba2La2NiW2O12 to 4 K in Sr2La2NiW2O12.




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Synthesis, crystal structure and properties of chlorido­tetra­kis­(pyridine-3-carbo­nitrile)­thio­cyanato­iron(II)

Reaction of FeCl2·4H2O with KSCN and 3-cyano­pyridine (pyridine-3-carbo­nitrile) in ethanol accidentally leads to the formation of single crystals of Fe(NCS)(Cl)(3-cyano­pyridine)4 or [FeCl(NCS)(C6H4N2)4]. The asymmetric unit of this compound consists of one FeII cation, one chloride and one thio­cyanate anion that are located on a fourfold rotation axis as well as of one 3-cyano­pyridine coligand in a general position. The FeII cations are sixfold coordinated by one chloride anion and one terminally N-bonding thio­cyanate anion in trans-positions and four 3-cyano­pyridine coligands that coordinate via the pyridine N atom to the FeII cations. The complexes are arranged in columns with the chloride anions, with the thio­cyanate anions always oriented in the same direction, which shows the non-centrosymmetry of this structure. No pronounced inter­molecular inter­actions are observed between the complexes. Initially, FeCl2 and KSCN were reacted in a 1:2 ratio, which lead to a sample that contains the title compound as the major phase together with a small amount of an unknown crystalline phase, as proven by powder X-ray diffraction (PXRD). If FeCl2 and KSCN is reacted in a 1:1 ratio, the title compound is obtained as a nearly pure phase. IR investigations reveal that the CN stretching vibration for the thio­cyanate anion is observed at 2074 cm−1, and that of the cyano group at 2238 cm−1, which also proves that the anionic ligands are only terminally bonded and that the cyano group is not involved in the metal coordination. Measurements with thermogravimetry and differential thermoanalysis reveal that the title compound decomposes at 169°C when heated at a rate of 4°C min−1 and that the 3-cyano­pyridine ligands are emitted in two separate poorly resolved steps. After the first step, an inter­mediate compound with the composition Fe(NCS)(Cl)(3-cyano­pyridine)2 of unknown structure is formed, for which the CN stretching vibration of the thio­cyanate anion is observed at 2025 cm−1, whereas the CN stretching vibration of the cyano group remain constant. This strongly indicates that the FeII cations are linked by μ-1,3-bridg­ing thio­cyanate anions into chains or layers.




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Synthesis, crystal structure and hydrogenation properties of MgxLi3 − xB48 − y (x = 1.11, y = 0.40)

The ternary magnesium/lithium boride, MgxLi3 − xB48 − y (x = 1.11, y = 0.40, idealized formula MgLi2B48), crystallizes as its own structure type in P43212, which is closely related to the structural family comprising α-AlB12, Be0.7Al1.1B22 and tetra­gonal β-boron. The asymmetric unit of title structure contains two statistical mixtures Mg/Li in Wyckoff sites 8b with relative occupancies Mg:Li = 0.495 (9):0.505 (9) and 4a with Mg:Li = 0.097 (8):0.903 (8). The boron atoms occupy 23 8b sites and two 4a sites. One of the latter sites has a partial occupancy factor of 0.61 (2). Both unique Mg/Li atoms adopt a twelvefold coordination environment in the form of truncated tetra­hedra (Laves polyhedra). These polyhedra are connected by triangular faces to four [B12] icosa­hedra. The boron atoms exhibit four kinds of polyhedra, namely penta­gonal pyramid (coordination number CN = 6), distorted tetra­gonal pyramid (CN = 5), bicapped hexa­gon (CN = 8) and gyrobifastigium (CN = 8). At the gas hydrogenation of MgLi2B48 alloy, formation of the eutectic composite hydride LiBH4+Mg(BH4)2 and amorphous boron is observed. In the temperature range 543–623 K, the hydride eutectics decompose, forming MgH2, LiH, MgB4, B and H2.




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The synthesis and structural properties of a chlorido­bis­{N-[(4-meth­oxy­phen­yl)imino]­pyrrolidine-1-carboxamide}­zinc(II) (aceto­nitrile)­trichlorido­zincate coordination complex

The title complex, [ZnCl(C12H15N3O2)2][ZnCl3(CH3CN)], was synthesized and its structure was fully characterized through single-crystal X-ray diffraction analysis. The complex crystallizes in the ortho­rhom­bic system, space group Pbca (61), with a central zinc atom coordinating one chlorine atom and two pyrrolidinyl-4-meth­oxy­phenyl azoformamide ligands in a bidentate manner, utilizing both the nitro­gen and oxygen atoms in a 1,3-heterodiene (N=N—C=O) motif for coordinative bonding, yielding an overall positively (+1) charged complex. The complex is accompanied by a [(CH3CN)ZnCl3]− counter-ion. The crystal data show that the harder oxygen atoms in the heterodiene zinc chelate form bonding inter­actions with distances of 2.002 (3) and 2.012 (3) Å, while nitro­gen atoms are coordinated by the central zinc cation with bond lengths of 2.207 (3) and 2.211 (3) Å. To gain further insight into the inter­molecular inter­actions within the crystal, Hirshfeld surface analysis was performed, along with the calculation of two-dimensional fingerprint plots. This analysis revealed that H⋯H (39.9%), Cl⋯H/H⋯Cl (28.2%) and C⋯H/H⋯C (7.2%) inter­actions are dominant. This unique crystal structure sheds light on arrangement and bonding inter­actions with azo­formamide ligands, and their unique qualities over similar semicarbazone and azo­thio­formamide structures.




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Synthesis, crystal structure and properties of poly[(μ-2-methyl­pyridine N-oxide-κ2O:O)bis­(μ-thio­cyanato-κ2N:S)cobalt(II)]

The title compound, [Co(NCS)2(C6H7NO)]n or Co(NCS)2(2-methyl­pyridine N-oxide), was prepared by the reaction of Co(NCS)2 and 2-methyl­pyridine N-oxide in methanol. All crystals obtained by this procedure show reticular pseudo-merohedric twinning, but after recrystallization, one crystal was found that had a minor component with only a very few overlapping reflections. The asymmetric unit consists of one CoII cation, two thio­cyanate anions and one 2-methyl­pyridine N-oxide coligand in general positions. The CoII cations are octa­hedrally coordinated by two O-bonding 2-methyl­pyridine N-oxide ligands, as well as two S- and two N-bonding thio­cyanate anions, and are connected via μ-1,3(N,S)-bridging thio­cyanate anions into chains that are linked by μ-1,1(O,O) bridging coligands into layers. No pronounced directional inter­molecular inter­actions are observed between the layers. The 2-methyl­pyridine coligand is disordered over two orientations and was refined using a split model with restraints. Powder X-ray diffraction (PXRD) indicates that a pure sample was obtained and IR spectroscopy confirms that bridging thio­cyanate anions are present. Thermogravimetry and differential thermoanalysis (TG-DTA) shows one poorly resolved mass loss in the TG curve that is accompanied by an exothermic and an endothermic signal in the DTA curve, which indicate the decomposition of the 2-methyl­pyridine N-oxide coligands.




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Synthesis, crystal structure and thermal properties of di­bromido­bis­(2-methyl­pyridine N-oxide-κO)cobalt(II)

Reaction of CoBr2 with 2-methyl­pyridine N-oxide in n-butanol leads to the formation of the title compound, [CoBr2(C6H7NO)2] or [CoBr2(2-methyl­pyridine N-oxide)2]. Its asymmetric unit consists of one CoII cation as well as two bromide anions and two 2-methyl­pyridine N-oxide coligands in general positions. The CoII cations are tetra­hedrally coordinated by two bromide anions and two 2-methyl­pyridine N-oxides, forming discrete complexes. In the crystal structure, these complexes are linked predominantly by weak C–H⋯Br hydrogen bonding into chains that propagate along the crystallographic a-axis. Powder X-ray diffraction (PXRD) measurements indicate that a pure phase was obtained. Thermoanalytical investigations prove that the title compound melts before decomposition; before melting, a further endothermic signal of unknown origin was observed that does not correspond to a phase transition.




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Crystal structure and Hirshfeld surface analysis of (2E)-1-phenyl-3-(1H-pyrrol-2-yl)propen-1-one

The title com­pound, C13H11NO, adopts an E configuration about the C=C double bond. The pyrrole ring is inclined to the phenyl ring at an angle of 44.94 (8)°. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds, forming ribbons parallel to (020) in zigzag C(7) chains along the a axis. These ribbons are connected via C—H⋯π inter­actions, forming a three-dimensional network. No significant π–π inter­actions are observed.




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Lithium and sodium 3-(3,4-di­hydroxy­phen­yl)propenoate hydrate

Treatment of 3-(3,4-di­hydroxy­phen­yl)propenoic acid (caffeic acid or 3,4-di­hydroxy­cinnamic acid) with the alkali hydroxides MOH (M = Li, Na) in aqueous solution led to the formation of poly[aqua­[μ-3-(3,4-di­hydroxy­phen­yl)propenoato]lithium], [Li(C9H7O4)(H2O)]n, 1, and poly[aqua­[μ-3-(3,4-di­hydroxy­phen­yl)propenoato]sodium], [Na(C9H7O4)(H2O)]n, 2. The crystal structure of 1 consists of a lithium cation that is coordinated nearly tetra­hedrally by three carboxyl­ate oxygen atoms and a water mol­ecule. The carboxyl­ate groups adopt a μ3-κ3O:O':O' coordination mode that leads to a chain-like catenation of Li cations and carboxyl­ate units parallel to the b axis. Moreover, the lithium carboxyl­ate chains are connected by hydrogen bonds between water mol­ecules attached to lithium and catechol OH groups. The crystal structure of 2 shows a sevenfold coordination of the sodium cation by one water mol­ecule, two monodentately binding carboxyl­ate groups and four oxygen atoms from two catechol groups. The coordination polyhedra are linked by face- and edge-sharing into chains extending parallel to the b axis. The chains are inter­linked by the bridging 3-(3,4-di­hydroxy­phen­yl)propenoate units and by inter­molecular hydrogen bonds to form the tri-periodic network.