Haematology, blood biochemistry, parasites and pathology of common eider (Somateria mollisima) males during a mortality event in the Baltic.

A mortality event at the Christiansø colony in the Baltic proper killed 115 common eiders (Somateria mollissima) in mid-May 2016. To complement previous studies of incubating females, 39 males were necropsied and from a subsample of these a biochemical and haematological profile was obtained. The birds were emaciated and cachexic having a 50% reduction in body mass.

Potassium octahydridotriborate: diverse polymorphism in a potential hydrogen storage material and potassium ion conductor.

Octahydridoborate, i.e. [BH] containing compounds, have recently attracted interest for hydrogen storage.

Investigation of an Unusual Crystal Habit of Hydrochlorothiazide Reveals Large Polar Enantiopure Domains and a Possible Crystal Nucleation Mechanism.

The observation of an unusual crystal habit in the common diuretic drug hydrochlorothiazide (HCT), and identification of its subtle conformational chirality, has stimulated a detailed investigation of its crystalline forms. Enantiomeric conformers of HCT resolve into an unusual structure of conjoined enantiomorphic twin crystals comprising enantiopure domains of opposite chirality. The purity of the domains and the chiral molecular conformation are confirmed by spatially revolved synchrotron micro-XRD experiments and neutron diffraction, respectively.

Structure and magnetic properties of W-type hexaferrites.

W-type hexaferrites (WHFs) (Sr FeO, = Mg, Co, Ni and Zn) are hard magnetic materials with high potential for permanent magnet applications owing to their large crystalline anisotropy and high cation tunability. However, little is known with regards to their complex structural and magnetic characteristics. Here, the substitution of metals ( = Mg, Co, Ni and Zn) in WHFs is described and their crystal and magnetic structures investigated.

Reconciling Crystallographic and Physical Property Measurements on Thermoelectric Lead Sulfide.

For many decades the lead chalcogenides PbTe, PbSe, and PbS (and their solid solutions) have been preferred high-performance thermoelectric materials due to their exceptional electronic and thermal properties as well as great stability during operation. However, there is a lack of understanding about the fundamental relation between the reported high-defect crystal structure containing cation disorder and vacancies and the observed transport properties, which follow expectations for an ideal rock salt crystal structure. Here we have studied a series of undoped lead sulfide samples (PbS) with presumed small chemical variations.

Solving the disordered structure of β-CuSe using the three-dimensional difference pair distribution function.

High-performing thermoelectric materials such as ZnSb and clathrates have atomic disorder as the root to their favorable properties. This makes it extremely difficult to understand and model their properties at a quantitative level, and thus effective structure-property relations are challenging to obtain. CuSe is an intensely studied, cheap and non-toxic high performance thermoelectric, which exhibits highly peculiar transport properties, especially near the β-to-α phase transition around 400 K, which must be related to the detailed nature of the crystal structure.

Optimization of magnetic properties in fast consolidated SrFeO nanocrystallites.

The magnetic properties of SrFeO nanocrystallites produced by hydrothermal synthesis and consolidated by Spark Plasma Sintering (SPS) were optimized by varying the compaction parameters: sintering time, sintering temperature, uniaxial pressure or pre-compaction in a magnetic field. Highly textured compacts with a high degree of crystallite alignment were produced. Qualitative and quantitative textural information was obtained based on X-ray diffraction pole figure measurements.

Trends in Synthesis, Crystal Structure, and Thermal and Magnetic Properties of Rare-Earth Metal Borohydrides.

Synthesis, crystal structures, and thermal and magnetic properties of the complete series of halide-free rare-earth (RE) metal borohydrides are presented. A new synthesis method provides high yield and high purity products. Fifteen new metal borohydride structures are reported.

Time-resolved grazing-incidence pair distribution functions during deposition by radio-frequency magnetron sputtering.

Characterization of local order in thin films is challenging with pair distribution function (PDF) analysis because of the minute mass of the scattering material. Here, it is demonstrated that reliable high-energy grazing-incidence total X-ray scattering data can be obtained during thin-film deposition by radio-frequency magnetron sputtering. A benchmark system of Pt was investigated in a novel sputtering chamber mounted on beamline P07-EH2 at the PETRA III synchrotron.

Local atomic structure of thin and ultrathin films rapid high-energy X-ray total scattering at grazing incidence.

Atomic pair distribution function (PDF) analysis is the most powerful technique to study the structure of condensed matter on the length scale from short- to long-range order. Today, the PDF approach is an integral part of research on amorphous, nanocrystalline and disordered materials from bulk to nanoparticle size. Thin films, however, demand specific experimental strategies for enhanced surface sensitivity and sophisticated data treatment to obtain high-quality PDF data.

Low-Barrier Hydrogen Bonds in Negative Thermal Expansion Material H [Co(CN) ].

The covalent nature of the low-barrier N-H-N hydrogen bonds in the negative thermal expansion material H [Co(CN) ] has been established by using a combination of X-ray and neutron diffraction electron density analysis and theoretical calculations. This finding explains why negative thermal expansion can occur in a material not commonly considered to be built from rigid linkers. The pertinent hydrogen atom is located symmetrically between two nitrogen atoms in a double-well potential with hydrogen above the barrier for proton transfer, thus forming a low-barrier hydrogen bond.

Thermal stability of p-type Ag-doped MgSb thermoelectric materials investigated by powder X-ray diffraction.

The thermal stability of the p-type Mg2.985Ag0.015Sb2 material with reported good thermoelectric performance is systematically investigated using powder X-ray diffraction (PXRD).

The Chemistry of Nucleation: In Situ Pair Distribution Function Analysis of Secondary Building Units During UiO-66 MOF Formation.

The concept of secondary building units (SBUs) is central to all science on metal-organic frameworks (MOFs), and they are widely used to design new MOF materials. However, the presence of SBUs during MOF formation remains controversial, and the formation mechanism of MOFs remains unclear, due to limited information about the evolution of prenucleation cluster structures. Here in situ pair distribution function (PDF) analysis was used to probe UiO-66 formation under solvothermal conditions.

Chemical bonding origin of the unexpected isotropic physical properties in thermoelectric MgSb and related materials.

The MgSb structure is currently being intensely scrutinized due to its outstanding thermoelectric properties. Usually, it is described as a layered Zintl phase with a clear distinction between covalent [MgSb] layers and ionic Mg layers. Based on the quantitative chemical bonding analysis, we unravel instead that MgSb exhibits a nearly isotropic three-dimensional bonding network with the interlayer and intralayer bonds being mostly ionic and surprisingly similar, which results in the nearly isotropic structural and thermal properties.

Formation of the layered conductive magnet CrCl(pyrazine) through redox-active coordination chemistry.

The unique properties of graphene, transition-metal dichalcogenides and other two-dimensional (2D) materials have boosted interest in layered coordination solids. In particular, 2D materials that behave as both conductors and magnets could find applications in quantum magnetoelectronics and spintronics. Here, we report the synthesis of CrCl(pyrazine), an air-stable layered solid, by reaction of CrCl with pyrazine (pyz).

From Metal Hydrides to Metal Borohydrides.

Commencing from metal hydrides, versatile synthesis, purification, and desolvation approaches are presented for a wide range of metal borohydrides and their solvates. An optimized and generalized synthesis method is provided for 11 different metal borohydrides, M(BH) , (M = Li, Na, Mg, Ca, Sr, Ba, Y, Nd, Sm, Gd, Yb), providing controlled access to more than 15 different polymorphs and in excess of 20 metal borohydride solvate complexes. Commercially unavailable metal hydrides (MH , M = Sr, Ba, Y, Nd, Sm, Gd, Yb) are synthesized utilizing high pressure hydrogenation.

Approaching Ferrite-Based Exchange-Coupled Nanocomposites as Permanent Magnets.

During the past decade, CoFeO (hard)/Co-Fe alloy (soft) magnetic nanocomposites have been routinely prepared by partial reduction of CoFeO nanoparticles. Monoxide (i.e.

Crystalline and magnetic structure-property relationship in spinel ferrite nanoparticles.

Magnetic spinel ferrite MFe2O4 (M = Mn, Co, Ni, Zn) nanoparticles have been prepared via simple, green and scalable hydrothermal synthesis pathways utilizing sub- and supercritical conditions to attain specific product characteristics. The crystal-, magnetic- and micro-structures of the prepared crystallites have been elucidated through meticulous characterization employing several complementary techniques. Analysis of energy dispersive X-ray spectroscopy (EDS) and X-ray absorption near edge structure (XANES) data verifies the desired stoichiometries with divalent M and trivalent Fe ions.

Model-free reconstruction of magnetic correlations in frustrated magnets.

Frustrated magnetic systems exhibit extraordinary physical properties, but quantification of their magnetic correlations poses a serious challenge to experiment and theory. Current insight into frustrated magnetic correlations relies on modelling techniques such as reverse Monte-Carlo methods, which require knowledge about the exact ordered atomic structure. Here, we present a method for direct reconstruction of magnetic correlations in frustrated magnets by three-dimensional difference pair distribution function analysis of neutron total scattering data.

Solvothermal flow synthesis of zinc phosphate pigment.

Synthesis of phase pure hopeite pigment through a solvothermal flow method is reported here for the first time. The products show two-step dehydration behaviour from thermogravimetric analysis (TGA), and a higher degree of purity and homogeniety than commercial zinc phosphate pigment. By increasing the reaction temperature stepwise from room temperature to 350 °C it was possible to decrease the size of the individual crystallite sheets and to tune their packing into larger assemblies.

Synthesis, structure, and polymorphic transitions of praseodymium(iii) and neodymium(iii) borohydride, Pr(BH) and Nd(BH).

In this work, praseodymium(iii) borohydride, Pr(BH4)3, and an isotopically enriched analogue, Pr(11BD4)3, are prepared by a new route via a solvate complex, Pr(11BD4)3S(CH3)2. Nd(BH4)3 was synthesized using the same method and the structures, polymorphic transformations, and thermal stabilities of these compounds are investigated in detail. α-Pr(BH4)3 and α-Nd(BH4)3 are isostructural with cubic unit cells (Pa3[combining macron]) stable at room temperature (RT) and a unit cell volume per formula unit (V/Z) of 180.

Stabilization of Polar Nanoregions in Pb-free Ferroelectrics.

The formation of polar nanoregions through solid-solution additions is known to enhance significantly the functional properties of ferroelectric materials. Despite considerable progress in characterizing the microscopic behavior of polar nanoregions (PNR), understanding their real-space atomic structure and dynamics of their formation remains a considerable challenge. Here, using the method of dynamic pair distribution function, we provide direct insights into the role of solid-solution additions towards the stabilization of polar nanoregions in the Pb-free ferroelectric of Ba(Zr,Ti)O_{3}.

Hydrogenation properties of lithium and sodium hydride - closo-borate, [BH] and [BH], composites.

The hydrogen absorption properties of metal closo-borate/metal hydride composites, M2B10H10-8MH and M2B12H12-10MH, M = Li or Na, are studied under high hydrogen pressures to understand the formation mechanism of metal borohydrides. The hydrogen storage properties of the composites have been investigated by in situ synchrotron radiation powder X-ray diffraction at p(H2) = 400 bar and by ex situ hydrogen absorption measurements at p(H2) = 526 to 998 bar. The in situ experiments reveal the formation of crystalline intermediates before metal borohydrides (MBH4) are formed.

Enhancement of magnetic properties through morphology control of SrFeO nanocrystallites.

Nanocrystallites of the permanent magnetic material SrFeO were synthesised using a conventional sol-gel (CSG) and a modified sol-gel (MSG) synthesis route. In the MSG synthesis, crystallite growth takes place in a solid NaCl matrix, resulting in freestanding nanocrystallites, as opposed to the CSG synthesis, where the produced nanocrystals are strongly intergrown. The resulting nanocrystallites from both methods exhibit similar intrinsic magnetic properties, but significantly different morphology and degree of aggregation.