0 Synthesis and properties of Sr2La2NiW2O12, a new S = 1 triangular lattice magnet By journals.iucr.org Published On :: 2024-08-30 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. Full Article text
0 K0.72Na1.71Ca5.79Si6O19 – the first oligosilicate based on [Si6O19]-hexamers and its stability compared to cyclosilicates By journals.iucr.org Published On :: 2024-08-30 Synthesis experiments were conducted in the quaternary system K2O–Na2O–CaO–SiO2, resulting in the formation of a previously unknown compound with the composition K0.72Na1.71Ca5.79Si6O19. Single crystals of sufficient size and quality were recovered from a starting mixture with a K2O:Na2O:CaO:SiO2 molar ratio of 1.5:0.5:2:3. The mixture was confined in a closed platinum tube and slowly cooled from 1150°C at a rate of 0.1°C min−1 to 700°C before being finally quenched in air. The structure has tetragonal symmetry and belongs to space group P4122 (No. 91), with a = 7.3659 (2), c = 32.2318 (18) Å, V = 1748.78 (12) Å3, and Z = 4. The silicate anion consists of highly puckered, unbranched six-membered oligomers with the composition [Si6O19] and point group symmetry 2 (C2). Although several thousands of natural and synthetic oxosilicates have been structurally characterized, this compound is the first representative of a catena-hexasilicate anion, to the best of our knowledge. Structural investigations were completed using Raman spectroscopy. The spectroscopic data was interpreted and the bands were assigned to certain vibrational species with the support of density functional theory at the HSEsol level of theory. To determine the stability properties of the novel oligosilicate compared to those of the chemically and structurally similar cyclosilicate combeite, we calculated the electronegativity of the respective structures using the electronegativity equalization method. The results showed that the molecular electronegativity of the cyclosilicate was significantly higher than that of the oligostructure due to the different connectivities of the oxygen atoms within the molecular units. Full Article text
0 Analysis of magnetic structures in JANA2020 By journals.iucr.org Published On :: 2024-09-19 JANA2020 is a program developed for the solution and refinement of regular, twinned, modulated, and composite crystal structures. In addition, JANA2020 also includes a magnetic option for solving magnetic structures from powder and single-crystal neutron diffraction data. This tool uses magnetic space and superspace symmetry to describe commensurate and incommensurate magnetic structures. The basics of the underlying formulation of magnetic structure factors and the use of magnetic symmetry for handling modulated and non-modulated magnetic structures are presented here, together with the general features of the magnetic tool. Examples of structures solved in the magnetic option of JANA2020 are given to illustrate the operation and capabilities of the program. Full Article text
0 Synthesis, crystal structure and hydrogenation properties of MgxLi3 − xB48 − y (x = 1.11, y = 0.40) By journals.iucr.org Published On :: 2024-01-01 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. Full Article text
0 Dimorphism of [Bi2O2(OH)](NO3) – the ordered Pna21 structure at 100 K By journals.iucr.org Published On :: 2023-11-30 The re-investigation of [Bi2O2(OH)](NO3), dioxidodibismuth(III) hydroxide nitrate, on the basis of single-crystal X-ray diffraction data revealed an apparent structural phase transition of a crystal structure determined previously (space group Cmc21 at 173 K) to a crystal structure with lower symmetry (space group Pna21 at 100 K). The Cmc21 → Pna21 group–subgroup relationship between the two crystal structures is klassengleiche with index 2. In contrast to the crystal structure in Cmc21 with orientational disorder of the nitrate anion, disorder does not occur in the Pna21 structure. Apart from the disorder of the nitrate anion, the general structural set-up in the two crystal structures is very similar: [Bi2O2]2+ layers extend parallel to (001) and alternate with layers of (OH)− anions above and (NO3)− anions below the cationic layer. Whereas the (OH)− anion shows strong bonds to the BiIII cations, the (NO3)− anion weakly binds to the BiIII cations of the cationic layer. A rather weak O—H⋯O hydrogen-bonding interaction between the (OH)− anion and the (NO3)− anion links adjacent sheets along [001]. Full Article text
0 Omadacycline dihydrate, C29H40N4O7·2H2O, from X-ray powder diffraction data By journals.iucr.org Published On :: 2024-02-16 The crystal structure of the title compound {systematic name: (4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide dihydrate, C29H40N4O7·2H2O} has been solved and refined using synchrotron X-ray powder diffraction data: it crystallizes in space group R3 with a = 24.34430 (7), c = 14.55212 (4) Å, V = 7468.81 (2) Å3 and Z = 9. Most of the hydrogen bonds are intramolecular, but two classical N—H⋯O intermolecular hydrogen bonds (along with probable weak C—H⋯O and C—H⋯N hydrogen bonds) link the molecules into a three-dimensional framework. The framework contains voids, which contain disordered water molecules. Keto–enol tautomerism is apparently important in this molecule, and the exact molecular structure is ambiguous. Full Article text
0 Crystal structure and Hirshfeld surface analysis of 4-oxo-3-phenyl-2-sulfanylidene-5-(thiophen-2-yl)-3,4,7,8,9,10-hexahydro-2H-pyrido[1,6-a:2,3-d']dipyrimidine-6-carbonitrile By journals.iucr.org Published On :: 2024-02-20 In the title compound, C21H15N5OS2, molecular pairs are linked by N—H⋯N hydrogen bonds along the c-axis direction and C—H⋯S and C—H⋯O hydrogen bonds along the b-axis direction, with R22(12) and R22(16) motifs, respectively, thus forming layers parallel to the (10overline{4}) plane. In addition, C=S⋯π and C≡N⋯π interactions between the layers ensure crystal cohesion. The Hirshfeld surface analysis indicates that the major contributions to the crystal packing are H⋯H (43.0%), C⋯H/H⋯C (16.9%), N⋯H/H⋯N (11.3%) and S⋯H/H⋯S (10.9%) interactions. Full Article text
0 Crystal structure and Hirshfeld surface analysis of 8-benzyl-1-[(4-methylphenyl)sulfonyl]-2,7,8,9-tetrahydro-1H-3,6:10,13-diepoxy-1,8-benzodiazacyclopentadecine ethanol hemisolvate By journals.iucr.org Published On :: 2024-03-26 The asymmetric unit of the title compound, 2C31H28N2O4S·C2H6O, contains a parent molecule and a half molecule of ethanol solvent. The main compound stabilizes its molecular conformation by forming a ring with an R12(7) motif with the ethanol solvent molecule. In the crystal, molecules are connected by C—H⋯O and O—H⋯O hydrogen bonds, forming a three-dimensional network. In addition, C—H⋯π interactions also strengthen the molecular packing. Full Article text
0 Trifluoromethanesulfonate salt of 5,10,15,20-tetrakis(1-benzylpyridin-1-ium-4-yl)-21H,23H-porphyrin and its CaII complex By journals.iucr.org Published On :: 2024-05-21 The synthesis, crystallization and characterization of a trifluoromethanesulfonate salt of 5,10,15,20-tetrakis(1-benzylpyridin-1-ium-4-yl)-21H,23H-porphyrin, C68H54N84+·4CF3SO3−·4H2O, 1·OTf, are reported in this work. The reaction between 5,10,15,20-tetrakis(pyridin-4-yl)-21H,23H-porphyrin and benzyl bromide in the presence of 0.1 equiv. of Ca(OH)2 in CH3CN under reflux with an N2 atmosphere and subsequent treatment with silver trifluoromethanesulfonate (AgOTf) salt produced a red–brown solution. This reaction mixture was filtered and the solvent was allowed to evaporate at room temperature for 3 d to give 1·OTf. Crystal structure determination by single-crystal X-ray diffraction (SCXD) revealed that 1·OTf crystallizes in the space group P21/c. The asymmetric unit contains half a porphyrin molecule, two trifluoromethanesulfonate anions and two water molecules of crystallization. The macrocycle of tetrapyrrole moieties is planar and unexpectedly it has coordinated CaII ions in occupational disorder. This CaII ion has only 10% occupancy (C72H61.80Ca0.10F12N8O16S4). The pyridinium rings bonded to methylene groups from porphyrin are located in two different arrangements in almost orthogonal positions between the plane formed by the porphyrin and the pyridinium rings. The crystal structure features cation⋯π interactions between the CaII atom and the π-system of the phenyl ring of neighboring molecules. Both trifluoromethanesulfonate anions are found at the periphery of 1, forming hydrogen bonds with water molecules. Full Article text
0 Crystal structure of (6,9-diacetyl-5,10,15,20-tetraphenylsecochlorinato)nickel(II) By journals.iucr.org Published On :: 2024-05-24 Title compound 1Ni, [Ni(C46H32N4O2)], a secochlorin nickel complex, was prepared by diol cleavage of a precursor trans-dihydroxydimethylchlorin. Two crystallographically independent molecules in the structure are related by pseudo-A lattice centering, with molecules differing mainly by a rotation of one of the acetyls and an adjacent phenyl groups. The two molecules have virtually identical conformations characterized by noticeable in-plane deformation in the A1g mode and a prominent out-of-plane deformation in the B1u (ruffling) mode. Directional interactions between molecules are scarce, limited to just a few C—H⋯O contacts, and intermolecular interactions are mostly dispersive in nature. Full Article text
0 Crystal structure of hexachlorothallate within a caesium chloride–phosphotungstate lattice Cs9(TlCl6)(PW12O40)2·9CsCl By journals.iucr.org Published On :: 2024-06-14 Crystal formation of caesium thallium chloride phosphotungstates, Cs9(TlCl6)(PW12O40)2·9CsCl showcases the ability to capture and crystallize octahedral complexes via the use of polyoxometalates (POMs). The large number of caesium chlorides allows for the POM [α-PW12O40]3− to arrange itself in a cubic close-packing lattice extended framework, in which the voids created enable the capture of the [TlCl6]3− complex. Full Article text
0 Crystal structure of tricarbonyl[η4-6-exo-(triphenylphosphino)cyclohepta-2,4-dien-1-one]iron(0) tetrafluoroborate By journals.iucr.org Published On :: 2024-06-18 The molecular structure of tricarbonyl[η4-6-exo-(triphenylphosphino)cyclohepta-2,4-dien-1-one]iron(0) tetrafluoroborate dichloromethane hemisolvate, [Fe(C28H22O4)(CO)3]BF4·0.5CH2Cl2, as determined by single-crystal X-ray diffraction is reported. The two independent tricarbonyl[η4-6-exo-(triphenylphosphino)cyclohepta-2,4-dien-1-one] iron(0) cations and their corresponding anions form dimers, which constitute the asymmetric unit of the structure parallel to the (100) plane. Solid-state stability within that asymmetric unit as well as between neighboring dimeric units is afforded by C—H⋯O and C—H⋯F hydrogen bonds and C—H⋯π and Y—X⋯π (Y = B, C; X = F, O) interactions, which yield diperiodic sheets and a three-dimensional extended network. Full Article text
0 Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ6O)potassium-μ-oxalato-triphenylstannate(IV), the first reported 18-crown-6-stabilized potassium salt of triphenyloxalatostannate By journals.iucr.org Published On :: 2024-08-13 The title complex, (1,4,7,10,13,16-hexaoxacyclooctadecane-1κ6O)(μ-oxalato-1κ2O1,O2:2κ2O1',O2')triphenyl-2κ3C-potassium(I)tin(IV), [KSn(C6H5)3(C2O4)(C12H24O6)] or K[18-Crown-6][(C6H5)3SnO4C2], was synthesized. The complex consists of a potassium cation coordinated to the six oxygen atoms of a crown ether molecule and the two oxygen atoms of the oxalatotriphenylstannate anion. It crystallizes in the monoclinic crystal system within the space group P21. The tin atom is coordinated by one chelating oxalate ligand and three phenyl groups, forming a cis-trigonal–bipyramidal geometry around the tin atom. The cations and anions form ion pairs, linked through carbonyl coordination to the potassium atoms. The crystal structure features C—H⋯O hydrogen bonds between the oxygen atoms of the oxalate group and the hydrogen atoms of the phenyl groups, resulting in an infinite chain structure extending along a-axis direction. The primary inter-chain interactions are van der Waals forces. Full Article text
0 Crystal structure and Hirshfeld surface analysis of trichlorido(1,10-phenanthroline-κ2N,N')phenyltin(IV) By journals.iucr.org Published On :: 2024-09-24 The title compound, [Sn(C6H5)Cl3(C12H8N2)], which was obtained by the reaction between 1,10-phenanthroline and phenyltin trichloride in methanol, exhibits intramolecular hydrogen-bonding interactions involving the chlorine and hydrogen atoms. Crystal cohesion is ensured by intermolecular C—H⋯Cl hydrogen bonds, as well as Y—X⋯π and π-stacking interactions involving three different aromatic rings with centroid–centroid distances of 3.6605 (13), 3.9327 (14) and 3.6938 (12) Å]. Hirshfeld surface analysis and the associated two-dimensional fingerprint plots reveal significant contributions from H⋯H (30.7%), Cl⋯H/H⋯Cl (32.4%), and C⋯H/H⋯C (24.0%) contacts to the crystal packing while the C⋯C (6.2%), C⋯Cl/Cl⋯C (4.1%), and N⋯H/H⋯N (1.7%) interactions make smaller contributions. Full Article text
0 Synthesis, crystal structure and properties of μ-tetrathioantimonato-bis[(cyclam)zinc(II)] perchlorate 0.8-hydrate By journals.iucr.org Published On :: 2024-10-11 The reaction of Zn(ClO4)2·6H2O with Na3SbS4·9H2O in a water/acetonitrile mixture leads to the formation of the title compound, (μ-tetrathioantimonato-κ2S:S')bis[(1,4,8,11-tetraazacyclotetradecane-κ4N)zinc(II)] perchlorate 0.8-hydrate, [Zn2(SbS4)(C10H24N4)2]ClO4·0.8H2O or [(Zn-cyclam)2(SbS4)]+[ClO4]−·0.8H2O. The asymmetric unit consists of two crystallographically independent [SbS4]3– anions, two independent perchlorate anions and two independent water molecules as well as four crystallographically independent Zn(cyclam)2+ cations that are located in general positions. Both perchlorate anions and one cyclam ligand are disordered and were refined with a split mode using restraints. The water molecules are partially occupied. Two Zn(cyclam)2+ cations are linked via the [SbS4]3– anions into [Zn2(cyclam)2SbS4]+ cations that are charged-balanced by the [ClO4]− anions. The water molecules of crystallization are hydrogen bonded to the [SbS4]3– anions. The cations, anions and water molecules are linked by N—H⋯O, N—H⋯S and O—H⋯S hydrogen bonds into a three-dimensional network. Powder X-ray diffraction proves that a pure sample had been obtained that was additionally investigated for its spectroscopic properties. Full Article text
0 Crystal structure and Hirshfeld surface analysis of (nitrato-κ2O,O')(1,4,7,10-tetraazacyclododecane-κ4N)nickel(II) nitrate By journals.iucr.org Published On :: 2024-10-11 The crystal structure of the title compound, [Ni(C8H20N4)(NO3)]NO3, at room temperature, has monoclinic (P21/n) symmetry. The structure displays intermolecular hydrogen bonding. The nickel displays a distorted bipyramidal geometry with the symmetric bidentate bonded nitrate occupying an equatorial site. The 1,4,7,10-tetraazacyclododecane (cyclen) backbone has the [4,8] configuration, with three nitrogen-bound H atoms directed above the plane of the nitrogen atoms towards the offset nickel atom with the fourth nitrogen-bound hydrogen directed below from the plane of the nitrogen atoms. The nitrate anion O atoms are seen to hydrogen bond to the H atoms bound to the N atoms of the ligand. Full Article text
0 Reducing heat load density with asymmetric and inclined double-crystal monochromators: principles and requirements revisited By journals.iucr.org Published On :: The major principles and requirements of asymmetric and inclined double-crystal monochromators are re-examined and presented to guide their design and development for significantly reducing heat load density and gradient on the monochromators of fourth-generation synchrotron light sources and X-ray free-electron lasers. Full Article text
0 Time-resolved high-energy X-ray diffraction studies of ultrathin Ni ferrite films on MgO(001) By journals.iucr.org Published On :: 2023-11-29 Time-resolved high-energy X-ray diffraction was used during growth of ultrathin NixFe3−xO4 films with varying Ni content (0 ≤ x ≤ 1.5) deposited on MgO(001) substrates by reactive molecular beam epitaxy, providing an insight into the growth dynamics of these films. In order to obtain structural information, reciprocal-space maps were recorded and the temporal evolution of the Bragg peaks specific to the octahedral and tetrahedral lattice sites of the inverse spinel structure of NixFe3−xO4 was observed during growth of the films. A time delay, corresponding to a coverage of 1.2–1.8 nm, between the appearance of the Bragg reflections originating from octahedral sites and reflections originating exclusively from tetrahedral sites indicates that the ferrite films grow in two stages. In the initial growth phase, a rock salt interface layer is formed. Afterwards, a structural transition occurs and the films grow in an inverse spinel structure. The thickness of the initial rock salt phase was found to increase with Ni content and to be responsible for atypical strain in the thin films. Films with Ni contents x > 1 do not show a structural transition. These films remain in a (deficient) rock salt structure consisting of a mixed Ni–Fe oxide and do not form a spinel structure at all. They show an increased number of NiO clusters as detected by X-ray photoelectron spectroscopy of the valence band, accompanied by a significant roughening of the films. Full Article text
0 Laue microdiffraction on polycrystalline samples above 1500 K achieved with the QMAX-µLaue furnace By journals.iucr.org Published On :: 2024-03-31 X-ray Laue microdiffraction aims to characterize microstructural and mechanical fields in polycrystalline specimens at the sub-micrometre scale with a strain resolution of ∼10−4. Here, a new and unique Laue microdiffraction setup and alignment procedure is presented, allowing measurements at temperatures as high as 1500 K, with the objective to extend the technique for the study of crystalline phase transitions and associated strain-field evolution that occur at high temperatures. A method is provided to measure the real temperature encountered by the specimen, which can be critical for precise phase-transition studies, as well as a strategy to calibrate the setup geometry to account for the sample and furnace dilation using a standard α-alumina single crystal. A first application to phase transitions in a polycrystalline specimen of pure zirconia is provided as an illustrative example. Full Article text
0 Automated pipeline processing X-ray diffraction data from dynamic compression experiments on the Extreme Conditions Beamline of PETRA III By journals.iucr.org Published On :: 2024-07-04 Presented and discussed here is the implementation of a software solution that provides prompt X-ray diffraction data analysis during fast dynamic compression experiments conducted within the dynamic diamond anvil cell technique. It includes efficient data collection, streaming of data and metadata to a high-performance cluster (HPC), fast azimuthal data integration on the cluster, and tools for controlling the data processing steps and visualizing the data using the DIOPTAS software package. This data processing pipeline is invaluable for a great number of studies. The potential of the pipeline is illustrated with two examples of data collected on ammonia–water mixtures and multiphase mineral assemblies under high pressure. The pipeline is designed to be generic in nature and could be readily adapted to provide rapid feedback for many other X-ray diffraction techniques, e.g. large-volume press studies, in situ stress/strain studies, phase transformation studies, chemical reactions studied with high-resolution diffraction etc. Full Article text
0 Practical courses on advanced methods in macromolecular crystallization: 20 years of history and future perspectives By journals.iucr.org Published On :: 2024-08-30 The first Federation of European Biochemical Societies Advanced Course on macromolecular crystallization was launched in the Czech Republic in October 2004. Over the past two decades, the course has developed into a distinguished event, attracting students, early career postdoctoral researchers and lecturers. The course topics include protein purification, characterization and crystallization, covering the latest advances in the field of structural biology. The many hands-on practical exercises enable a close interaction between students and teachers and offer the opportunity for students to crystallize their own proteins. The course has a broad and lasting impact on the scientific community as participants return to their home laboratories and act as nuclei by communicating and implementing their newly acquired knowledge and skills. Full Article text
0 The promise of GaAs 200 in small-angle neutron scattering for higher resolution By journals.iucr.org Published On :: 2024-08-27 The Q resolution in Bonse–Hart double-crystal diffractometers is determined for a given Bragg angle by the value of the crystallographic structure factor. To date, the reflections Si 220 or Si 111 have been used exclusively in neutron scattering, which provide resolutions for triple-bounce crystals of about 2 × 10−5 Å−1 (FWHM). The Darwin width of the GaAs 200 reflection is about a factor of 10 smaller, offering the possibility of a Q resolution of 2 × 10−6 Å−1 provided crystals of sufficient quality are available. This article reports a feasibility study with single-bounce GaAs 200, yielding a Q resolution of 4.6 × 10−6 Å−1, six times superior in comparison with a Si 220 setup. Full Article text
0 A miniature X-ray diffraction setup on ID20 at the European Synchrotron Radiation Facility By journals.iucr.org Published On :: 2024-10-25 We describe an ultra-compact setup for in situ X-ray diffraction on the inelastic X-ray scattering beamline ID20 at the European Synchrotron Radiation Facility. The main motivation for the design and construction of this setup is the increasing demand for on-the-fly sample characterization, as well as ease of navigation through a sample's phase diagram, for example subjected to high-pressure and/or high-temperature conditions. We provide technical details and demonstrate the performance of the setup. Full Article text
0 Upgraded front ends for SLS 2.0 with next-generation high-power diaphragms and slits By journals.iucr.org Published On :: 2024-10-22 The upgrade of the Swiss Light Source, called SLS 2.0, necessitates comprehensive updates to all 18 user front ends. This upgrade is driven by the increased power of the synchrotron beam, reduced floor space, changing source points, new safety regulations and enhanced beam properties, including a brightness increase by up to a factor of 40. While some existing front-end components are being thoroughly refurbished and upgraded for safety reasons, other components, especially those designed to tailor the new synchrotron beam, are being completely rebuilt. These new designs feature innovative and enhanced cooling systems to manage the high-power load and meet new requirements such as mechanical stability and compact footprints. Full Article text
0 A study of structural effects on the focusing and imaging performance of hard X-rays with 20–30 nm zone plates By journals.iucr.org Published On :: 2024-10-28 Hard X-ray microscopes with 20–30 nm spatial resolution ranges are an advanced tool for the inspection of materials at the nanoscale. However, the limited efficiency of the focusing optics, for example, a Fresnel zone plate (ZP) lens, can significantly reduce the power of a nanoprobe. Despite several reports on ZP lenses that focus hard X-rays with 20 nm resolution – mainly constructed by zone-doubling techniques – a systematic investigation into the limiting factors has not been reported. We report the structural effects on the focusing and imaging efficiency of 20–30 nm-resolution ZPs, employing a modified beam-propagation method. The zone width and the duty cycle (zone width/ring pitch) were optimized to achieve maximum efficiency, and a comparative analysis of the zone materials was conducted. The optimized zone structures were used in the fabrication of Pt-hydrogen silsesquioxane (HSQ) ZPs. The highest focusing efficiency of the Pt-HSQ-ZP with a resolution of 30 nm was 10% at 7 keV and >5% in the range 6–10 keV, whereas the highest efficiency of the Pt-HSQ-ZP with a resolution of 20 nm was realized at 7 keV with an efficiency of 7.6%. Optical characterization conducted at X-ray beamlines demonstrated significant enhancement of the focusing and imaging efficiency in a broader range of hard X-rays from 5 keV to 10 keV, demonstrating the potential application in hard X-ray focusing and imaging. Full Article text
0 Foreword to the special virtual issue dedicated to the proceedings of the PhotonMEADOW2023 Joint Workshop By journals.iucr.org Published On :: 2024-10-11 Full Article text
0 Celebrating JSR's 30th anniversary: reminiscences of a Main Editor By journals.iucr.org Published On :: 2024-10-01 Full Article text
0 Satispay raises EUR 60 million to further drive its service expansion By thepaypers.com Published On :: Mon, 11 Nov 2024 14:27:00 +0100 Italy-based unicorn Satispay has announced... Full Article
0 The Global Payments and Fintech Trends Report 2024 By thepaypers.com Published On :: Fri, 09 Feb 2024 11:39:00 +0100 The inaugural edition of the Global Payments and Fintech Trends Report offers a comprehensive overview of the key trends in fintech and payments for the year 2024 and beyond. Full Article
0 Global Overview of Payment Providers 2024 By thepaypers.com Published On :: Thu, 28 Mar 2024 14:25:00 +0100 The Global Overview of Payment Providers Report provides insights into the leading companies and trends in the field of payments. Full Article
0 Emerging Technologies and Trends in Identity Verification, KYC, and KYB Report 2024 By thepaypers.com Published On :: Thu, 16 May 2024 09:00:00 +0100 The inaugural edition of the Emerging Technologies and Trends in Identity Verification (IDV), KYC, and KYB Report 2024 offers a comprehensive overview of the key technology trends and best practices in digital onboarding for consumers and businesses in 2024. Full Article
0 Fintech for Marketplaces and Platforms Report 2024 By thepaypers.com Published On :: Tue, 28 May 2024 07:24:00 +0100 The 1st edition of the Fintech for Marketplaces and Platforms Report covers essential ecommerce trends and future perspectives. Full Article
0 Key Players In the EU Payments Landscape – 2024 Edition By thepaypers.com Published On :: Tue, 02 Jul 2024 08:30:00 +0100 The 2024 'Key Players in the EU Payments Landscape' report by PA EU, Deloitte, and The Paypers ranks key players in EU's payments markets. Full Article
0 Unlocking the Potential of A2A Payments Report 2024 By thepaypers.com Published On :: Wed, 03 Jul 2024 14:44:00 +0100 The first edition of the Unlocking the Potential of A2A Payments Report 2024 provides the latest insights into the A2A space. Full Article
0 Embedded Finance and Banking-as-a-Service Report 2024 By thepaypers.com Published On :: Mon, 05 Aug 2024 11:52:00 +0100 Unlock unparalleled insights into the transformative world of Embedded Finance and Banking-as-a-Service (BaaS) with The Paypers' latest report. Dive deep into essential business models, key players, and the latest trends reshaping industries with our comprehensive guide, curated by industry experts and leading companies. Full Article
0 Fraud Prevention in Ecommerce Report 2024-2025 By thepaypers.com Published On :: Tue, 01 Oct 2024 10:01:00 +0100 The 6th edition of the Fraud Prevention in Ecommerce Report provides a thorough overview of the global fraud ecosystem. Full Article
0 Next-Gen Tech to Detect Fraud and Financial Crime Report 2024 By thepaypers.com Published On :: Tue, 22 Oct 2024 08:16:00 +0100 The Next-Gen Technologies to Detect Fraud and Financial Crime Report 2024 highlights how banks, fintechs, and PSPs leverage AI and emerging tech to detect and combat advanced fraud. Full Article
0 Klarna sells loans to Elliott to free up GBP 30 bln for growth By thepaypers.com Published On :: Wed, 16 Oct 2024 15:48:00 +0100 Klarna has secured a deal to offload BNPL loans that it... Full Article
0 Zilch securitisation facility reaches GBP 150 million By thepaypers.com Published On :: Tue, 29 Oct 2024 10:45:00 +0100 Zilch, a fintech company operating an ad-subsidised payments... Full Article
0 Noteworthy Chemistry - September 27, 2013 By www.acs.org Published On :: Fri, 27 Sep 2013 01:00:00 -0400 The RSS feed for Noteworthy Chemistry has been discontinued. Questions or concerns? Email us! Full Article
0 2014 Americana Music Awards with Loretta Lynn, Patty Griffin and more By www.scpr.org Published On :: Wed, 17 Sep 2014 16:09:48 -0700 The finale of the 2013 Americana Music Association Honors and Awards show.; Credit: Folk Alley The 2014 Americana Music Awards are Wednesday at 5 p.m. Pacific/8 p.m. Eastern. You can watch the full show live from the Ryman Auditorium in Nashville, Tenn. below, including performances by Loretta Lynn, Jackson Browne, Emmylou Harris, Patty Griffin and more. window.onload = function(){ NPR.Iframe.load("347625625",'iframeEmbed','@KPCC',{noSharingLinks: false, hideRelatedStories: true, fbShareImageUrl: 'http://a.scpr.org/i/249842800d22989eda16b048b982fc26/92154-full.jpg'}); } Read a full list of the nominees below: Album of the Year • Build Me Up From Bones by Sarah Jarosz • The Lights From The Chemical Plant by Robert Ellis • The River And The Thread by Rosanne Cash • Southeastern by Jason Isbell Artist of the Year • Rosanne Cash • Rodney Crowell • Robert Ellis • Jason Isbell Duo/Group of the Year • The Avett Brothers • The Devil Makes Three • Hard Working Americans • Lake Street Dive • The Milk Carton Kids Song of the Year • "Cover Me Up" by Jason Isbell • "A Feather's Not A Bird" by Rosanne Cash • "Ohio" by Patty Griffin • "Only Lies" by Robert Ellis Emerging Act of the Year • Hurray For The Riff Raff • Parker Millsap • St. Paul & The Broken Bones Full Article
0 X-Men franchise's Deadpool finally gets his own movie in 2016 By www.scpr.org Published On :: Thu, 18 Sep 2014 15:41:02 -0700 File: Stephen Yan dresses as Deadpool at Comic-Con on July 19, 2013 in San Diego.; Credit: Sandy Huffaker/Getty Images Hey, you! Yeah, you reading this! They're finally making a Deadpool movie! If you like fourth-wall breaking, second-person addresses like the above, you may be in the target audience for the long-in-development "Deadpool," which Twentieth Century Fox announced Thursday that it was finally moving ahead with, according to the Hollywood Reporter. The studio announced a Feb. 12, 2016 release date for the film with Tim Miller set to direct the character who's served as both friend and foe to the X-Men. The so-called "Merc with a Mouth" is a mercenary character created in the early '90s by artist Rob Liefeld, with Liefeld being an outspoken champion for the character. The character was part of the same Weapon X program that created Wolverine, with a similar healing factor power, but with a horribly scarred face he covers with a mask. He's also been played as crazy, which manifests itself as the character often knowing he's in a comic book and talking directly to the reader. Ryan Reynolds has long been tied to the project, including playing a version of the character in the much-hated "X-Men Origins: Wolverine," but no deal has been made yet, according to the Reporter. This follows footage leaking over the summer of a "Deadpool" test with Reynolds voicing the character in a CGI clip. Reynolds said in an interview in the Niagara Falls Review earlier this month that that it's unfortunate the footage leaked, "but who cares," because the positive response to the clip had helped push the film forward after being stuck in development hell. "The movie has been in a state of limbo for a while. There was such an overpowering reaction to the footage, you sort of feel like, 'Oh, so we weren't crazy for our reasons for loving this character, for loving this role.' It's interesting to see the power of the Internet. It's awe-inspiring, actually," Reynolds told the Review. "And it's neat that Twitter and Facebook and Instagram can move mountains when used in the right way." Watch the "Deadpool" test footage below (Warning: Contains some adult language): Deadpool test footage There'd also been debate about whether a movie would stay true to the character's outrageous attitude mixed with violence and go for an R rating, or whether it would go for a wider audience by staying at PG-13. Deadpool creator Liefeld has argued that the film would work just fine without restricting its audience with an R. Liefeld tweet 1 Liefeld tweet 2 Liefeld told the Daily Superhero in a previous interview that the footage for the test was filmed three years ago, using motion capture over footage of Reynolds. He also talked up Miller as a director, noting that he directed the pre-credits scene for "Thor: The Dark World." "Fox had released a relatively small budget for Tim to present his vision of the script written by Rhett Reese and Paul Wernick," Liefeld said. "The digital costume over Ryan Reynold's motion capture (Mo-Cap) performance was an approach they wanted to explore and they had a relatively small window to create this short so they opted to 'test' the look of a digital Deadpool costume over Ryan. I'm quite pleased at how it turned out, especially considering Baraka-Deadpool from Wolverine Origins." Liefeld was referring to the transformation of Deadpool in "X-Men Origins: Wolverine" to a mouthless, pointy-limbed character in the film, which many fans argued took away what they loved most about Deadpool: His sense of humor. Liefeld also said he'd seen even more impressive sequences than the one that made its way online. It's unclear whether this will tie in with the other X-Men films, but with the studio's recent attempt to tie together the "First Class" franchise with the older X-Men films in "Days of Future Past" and the character's long history of involvement with the X-Men and other related teams, it seems like a likely move. Full Article
0 The Cosby Show at 30: Changing the face of black America By www.scpr.org Published On :: Fri, 19 Sep 2014 14:39:08 -0700 The original cast of The Cosby Show. ; Credit: Frank Carroll/Associated Press Thirty years ago, on September 20,"The Cosby Show" debuted on NBC and went on to dominate our screens for almost a decade. The award-winning sitcom introduced us to the Huxtables, an upper-middle class black family made up of Heathcliff, Clair and their five children. Plus a cast of ugly sweaters. "The Cosby Show" covered familiar territory; from children getting body piercings, bad boyfriends and maintaining a long term relationship as parents with professional lives. Speaking to Take Two's Alex Cohen, Mark Anthony Neal, professor of African and African American Studies at Duke University said "The Cosby Show" broke down racial stereotypes. "It really was the first program to present not just a middle class, or upper-middle class black family, but a professional family. Clair and Heathcliff Huxtable were educated, they had advanced degrees. It was an image we hadn't seen before." From 1985 to 1990, "The Cosby Show" held the number one spot in the TV ratings war, appealing to audiences across color lines. Black viewers in particular welcomed a broader representation of African American life on screen, building on the success of shows such as "The Jeffersons", "Sanford and Son" and "Good Times". "Bill Cosby was very honest about the fact that when he conceived the character of Heathcliff Huxtable, he was looking for images that countered, say, Fred Sanford who was a junk dealer, or James Evans, Jr. in 'Good Times' who was always struggling to find a job. Bill Cosby wanted to bring a different view of the black family into the mix." Despite its popularity, some people took issue with how "The Cosby Show" tackled race issues. "It's not that black Americans didn't enjoy the show, but there were criticisms because it didn't explore the broader world of African Americans." says Professor Neal. "The Huxtable family became a stand in for the successes of the civil rights movement. It became the rationale that if the Huxtables can do it, why can't other African Americans do it?" Today's media landscape is very different to the one "The Cosby Show" existed in. For this reason, says Professor Neal, its success has been difficult to replicate. "Right after it went off the air, cable TV takes hold and we get this niche programming. Many African American programs ended up on Fox, UPN and the WB, so there was no incentive for the major networks to do any Cosby-like programming with a black family at the center." With the debut of ABC's "Blackish" on September 24, it's hoped this will go some way to fill the Cosby-shaped void. In the meantime there's always YouTube and re-runs. Just be thankful Heathcliff's ugly sweaters are a thing of the past. Full Article
0 Off-Ramp Recommends: Getting 'Off the 405' for La Luz By www.scpr.org Published On :: Wed, 21 Jun 2017 14:39:16 -0700 Catcus garden at the Getty Museum (Creative Commons via Flickr user Prayitno); Credit: Rosalie Atkinson | Off-Ramp®'Off the 405' is a free night of music, agua-fresca cocktails, and immeasurable views. The Getty Museum stacks their performance calendar with great artists, sometimes indie, sometimes local, always energetic; this Saturday's line-up features the great, all-Angelena rock group, La Luz. The band's sound was deemed "surf-noir" by Stereogum, complete with bright lyrics and haunting harmonies. The band quickly gained notoriety in LA for the energy of their live performances, and Soul-Train style dance competitions during their sets. https://www.youtube.com/watch?v=WlUiwINM5lM 'Off the 405' takes place from 6pm to 9pm and will feature a cash bar, some light bites, and an opening DJ set as the sun goes down. It doesn't get more scenic and quintessentially Los Angeles than this. So enjoy a free night out, a craft cocktail, and some fantastic music. Don't forget to snap a skyline-selfie and send it to Team Off-Ramp! The Getty Center is located at 1200 Getty Center Drive in LA, roughly 12 miles northwest of downtown. This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
0 A Hospital Charged More Than $700 For Each Push Of Medicine Through Her IV By www.scpr.org Published On :: Mon, 28 Jun 2021 08:00:06 -0700 ; Credit: /Rose Wong for NPR/KHN Rae Ellen Bichell | NPRClaire Lang-Ree was in a lab coat taking a college chemistry class remotely in the kitchen of her Colorado Springs, Colo., home, when a profound pain twisted into her lower abdomen. She called her mom, Jen Lang-Ree, a nurse practitioner who worried it was appendicitis and found a nearby hospital in the family's health insurance network. After a long wait in the emergency room of Penrose Hospital, Claire received morphine and an anti-nausea medication delivered through an IV. She also underwent a CT scan of her abdomen and a series of tests. Hospital staffers ruled out appendicitis and surmised Claire was suffering from a ruptured ovarian cyst, which can be a harmless part of the menstrual cycle but can also be problematic and painful. After a few days — and a chemistry exam taken through gritted teeth — the pain went away. Then the bill came. Patient: Claire Lang-Ree, a 21-year-old Stanford University student who was living in Colorado for a few months while taking classes remotely. She's insured by Anthem Blue Cross through her mom's work as a pediatric nurse practitioner in Northern California. Total Bill: $18,735.93, including two $722.50 fees for a nurse to "push" drugs into her IV, a process that takes seconds. Anthem's negotiated charges were $6,999 for the total treatment. Anthem paid $5,578.30, and the Lang-Rees owed $1,270.45 to the hospital, plus additional bills for radiologists and other care. (Claire also anted up a $150 copay at the ER.) Service Provider: Penrose Hospital in Colorado Springs, part of the regional health care network Centura Health. What Gives: As hospitals disaggregate charges for services once included in an ER visit, a hospitalization or a surgical procedure, there has been a proliferation of newfangled fees to increase billing. In the health field, this is called "unbundling." It's analogous to the airlines now charging extra for each checked bag or for an exit row seat. Over time, in the medical industry, this has led to separate fees for ever-smaller components of care. A charge to put medicine into a patient's IV line — a "push fee" — is one of them. Though the biggest charge on Claire's bill, $9,885.73, was for a CT scan, in many ways Claire and her mom found the push fees most galling. (Note to readers: Scans are frequently many times more expensive when ordered in an ER than in other settings.) "That was so ridiculous," says Claire, who adds she had previously taken the anti-nausea drug they gave her; it's available in tablet form for the price of a cup of coffee, no IV necessary. "It works really well. Why wasn't that an option?" In Colorado, the average charge for the code corresponding to Claire's first IV push has nearly tripled since 2014, and the dollars hospitals actually get for the procedure has doubled. In Colorado Springs specifically, the cost for IV pushes rose even more sharply than it did statewide. A typical nurse in Colorado Springs makes about $35 an hour. At that rate, it would take nearly 21 hours to earn the amount of money Penrose charged for a push of plunger that likely took seconds or at most minutes. The hospital's charge for just one "IV push" was more than Claire's portion of the monthly rent in the home she shared with roommates. In the end, Anthem did not pay the push fees in its negotiated payment. But claims data shows that in 2020 Penrose typically received upward of $1,000 for the first IV push. And patients who didn't have an insurer to dismiss such charges would be stuck with them. Colorado hospitals on average received $723 for the same code, according to the claims database. "It's insane the variation that we see in prices, and there's no rhyme or reason," says Cari Frank with the Center for Improving Value in Health Care, a Colorado nonprofit that runs a statewide health care claims database. "It's just that they've been able to negotiate those prices with the insurance company and the insurance company has decided to pay it." To put the total cost in context, Penrose initially charged more money for Claire's visit than the typical Colorado hospital would have charged for helping someone give birth, according to data published by the Colorado Division of Insurance. Even with the negotiated rate, "it was only $1,000 less than an average payment for having a baby," Frank says. In an email statement, Centura said it "conducted a thorough review and determined all charges were accurate" and went on to explain that "an Emergency Room (ER) must be prepared for anything and everything that comes through the doors," requiring highly trained staff, plus equipment and supplies. "All of this adds up to large operating costs and can translate into patient responsibility." As researchers have found, little stands in the way of hospitals charging through the roof, especially in a place like an emergency room, where a patient has few choices. A report from National Nurses United found that hospital markups have more than doubled since 1999, according to data from the United States Bureau of Labor Statistics. In an email, Anthem called the trend of increasing hospital prices "alarming" and "unsustainable." But Ge Bai, an associate professor of accounting and health policy at Johns Hopkins University, says when patients see big bills it isn't only the hospital's doing — a lot depends on the insurer, too. For one, the negotiated price depends on the negotiating power of the payer, in this case, Anthem. "Most insurance companies don't have comparable negotiating or bargaining power with the hospital," said Bai. Prices in a state like Michigan, where Bai said the UAW union covers a big proportion of Michigan patients, will look very different from those in Colorado. Also, insurers are not the wallet defenders patients might assume them to be. "In many cases, insurance companies don't negotiate as aggressively as they can, because they earn profit from the percentage of the claims," she says. The more expensive the actual payment is, the more money they get to extract. Though Anthem negotiated away the push fees, it paid the hospital 30% more than the average Level IV emergency department visit in Colorado that year, and it paid quadruple what Medicare would allow for her CT scan. Resolution: Claire and her mom decided to fight the bill, writing letters to the hospital and searching for information on what the procedures should have cost. The cost of the IV pushes and CT scan infuriated them — the hospital wanted more than double for a CT than what top-rated hospitals typically charged in 2019. But the threat of collections wore them out and ultimately they paid their assigned share of the bill — $1,420.45, which was mostly coinsurance. "Eventually it got to the point where I was like, 'I don't really want to go to collections, because this might ruin my credit score,'" says Claire, who didn't want to graduate from college with dinged credit. Bai and Frank say the state of Maryland can provide a useful benchmark for medical bills, since it sets the prices that hospitals can charge for each procedure. Data provided by the Maryland Health Care Commission shows that Anthem and Claire paid seven times what she likely would have paid for the CT scan there, and nearly 10 times what they likely would have paid for the emergency department Level IV visit. In Maryland, intravenous pushes typically cost about $200 apiece in 2019. A typical Maryland hospital would have received only about $1,350 from a visit like Claire's, and the Lang-Rees would have been on the hook for about $270. Claire's pain has come back a few times, but never as bad as that night in Colorado. She has avoided reentering an emergency room since then. After visiting multiple specialists back home in California, she learned she might have had a condition called ovarian torsion. The Takeaway: Even at an in-network facility and with good insurance, patients can get hurt financially by visiting the ER. A few helpful documents can help guide the way to fighting such charges. The first is an itemized bill. "I just think it's wrong in the U.S. to charge so much," says Jen Lang-Ree. "It's just a little side passion of mine to look at those and make sure I'm not being scammed." Bai, of Johns Hopkins, suggests asking for an itemized explanation of benefits from the insurance company, too. That will show what the hospital actually received for each procedure. Find out if the hospital massively overcharged. The Medicare price lookup tool can be useful for getting a benchmark. And publicly available data on health claims in Colorado and at least 17 other states can help, too. Vincent Plymell with the Colorado Division of Insurance encourages patients to reach out if something on a bill looks sketchy. "Even if it's not a plan we regulate," he wrote in an email, departments such as his "can always arm the consumer with info." Finally, make scrutinizing such charges fun. Claire and Jen made bill-fighting their mother-daughter hobby for the winter. They recommend pretzel chips and cocktails to boost the mood. Bill of the Month is a crowdsourced investigation by KHN and NPR that dissects and explains medical bills. Do you have an interesting medical bill you want to share with us? Tell us about it! Copyright 2021 Kaiser Health News. To see more, visit Kaiser Health News. This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
0 New Report Finds Major US Metro Areas, Greater Los Angeles Among Them, Are More Segregated Now Than 30 Years Ago By www.scpr.org Published On :: Wed, 30 Jun 2021 09:31:22 -0700 People rest while riding a Los Angeles Metro Rail train amid the coronavirus pandemic on April 1, 2020 in Los Angeles, California.; Credit: Mario Tama/Getty Images AirTalkDespite the racial reckoning going on in America right now, and despite the fact that attitudes towards race, inclusion and representation are different now than they were 30 years ago, new research from UC Berkeley shows that a large majority of American metro areas are more segregated now than they were in 1990. The new report from Berkeley’s Institute covers a number of topic areas, but among the key findings were from the national segregation report component of the project, which found Los Angeles to be the sixth-most segregated metro area with more than 200,000 people. Today on AirTalk, we’ll talk with the lead researcher on the new report and a local historian to talk about how we see the findings of the report play out in Southern California. Guests: Stephen Menendian, assistant director and director of research at the Othering & Belonging Institute at UC Berkeley, which works to identify and eliminate the barriers to an inclusive, just, and sustainable society in order to create transformative change; he tweets @SMenendian Eric Avila, professor of history, urban planning, and Chicano/a studies at UCLA This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
0 The Supreme Court’s Final Rulings Of The Spring 2021 Term, Plus A Retrospective On Some Of Its Biggest Cases By www.scpr.org Published On :: Thu, 01 Jul 2021 09:07:38 -0700 The US Supreme Court is seen in Washington, DC on July 1, 2021.; Credit: MANDEL NGAN/AFP via Getty Images AirTalkThe U.S. Supreme Court ends its spring term today with two final decisions expected to come down, one involving a pivotal voting rights case out of Arizona and the other involving so-called “dark money” and campaign finance. Today on AirTalk, we’ll get a summary of the arguments that each side in the two cases will be making, and we’ll look back on the Spring 2021 term overall, as the nine justices will break until the fall. Guests: Vikram Amar, dean and professor of law at the University of Illinois College of Law David Becker, executive director and founder of the Center for Election Innovation and Research, a nonpartisan, non-profit organization that works with election officials around the country to ensure convenient and secure voting for all voters; he is the former director of the elections program at The Pew Charitable Trusts and a former senior trial attorney in the Voting Section of the Department of Justice’s Civil Rights Division; he tweets @beckerdavidj This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
0 LANDFIRE Marks 20 Years as One-Stop Data Shop for Fire—and More By www.usgs.gov Published On :: Thu, 31 Oct 2024 09:59:39 EDT For two decades now, and counting, the LANDFIRE program continues to assemble the most easy-to-use, intuitive and complete clearinghouse of remote sensing data products for wildland fire managers. Full Article
0 Idaho Hydrologic Update, October 2024 By www.usgs.gov Published On :: Thu, 31 Oct 2024 13:31:01 EDT October 2024 issue of the Idaho Hydrologic Update from the USGS Idaho Water Science Center. Full Article