metal Metal Organic Frameworks Market worth $1.70 billion by 2030 By www.emailwire.com Published On :: Wed, 23 Oct 2024 00:00:00 -0700 (EMAILWIRE.COM, October 23, 2024 ) The report "Metal Organic Frameworks Market by Type (Zinc-based, Copper-based, Iron-based, Aluminium-based, Chromium-based), Synthesis Method (Solvothermal/Hydrothermal, Microwave-assisted, Mechanochemical), and Region - Global forecast to 2030 " The global Metal... Full Article
metal Metal Slug Tactics : le jeu est enfin dispo, voici son trailer de lancement et du gameplay de la Ikari Warriors By www.jeuxactu.com Published On :: 2024-11-05T15:51:01+00:01 En attendant que SNK veuille bien nous annoncer son reboot de Metal Slug, ce sont les Français de DotEmu qui se sont chargés de ressuciter cette licence si chère des adorateur... Full Article
metal Metallica Worldwired UK Leg By www.RoomThirteen.com Published On :: Thu 26 Oct 2017 10:35:11 GMT No further details available. Full Article
metal Intel Denies RMA Request For Core i9-14900K CPU Witnessing Instability Issues Due To Use of Liquid-Metal Thermal Paste By hardforum.com Published On :: Wed, 13 Nov 2024 05:01:43 +0000 Full Article HardForum Tech News
metal Joking burglars jailed for string of metal thefts By www.bbc.com Published On :: Mon, 11 Nov 2024 17:30:30 GMT The gang, who nicknamed themselves The Sticky Bandits, hit 10 firms within six months. Full Article
metal Metal Lath: Yesterday, Today and Tomorrow By www.wconline.com Published On :: Wed, 23 Aug 2023 00:00:00 -0400 The wall and ceiling industry’s past and present, show it will have a successful future. Full Article
metal Metallic Plaster By www.wconline.com Published On :: Tue, 20 Aug 2024 00:00:00 -0400 How to make your plaster have a shiny look. Full Article
metal Metal Cladding Tiles Helps Airport Design Take Flight By www.wconline.com Published On :: Fri, 04 Oct 2019 11:31:00 -0400 Loading docks generally aren’t known for their stylishness, but a new such structure at the Minneapolis-St. Paul International Airport is breaking with that tradition. The addition of glass curtainwall and a protective overhang clad in copper-toned metal tiles create a real visual pop in the middle of the airport’s runway area. Full Article
metal Federal Brace Metal Stud Brackets By www.wconline.com Published On :: Fri, 09 Aug 2024 16:00:00 -0400 Introducing the newest category of products from Federal Brace, catering metal stud construction projects with support brackets for vanities, desks, counters and more. Full Article
metal Metal Minds in Motion Roundtables at METALCON By www.wconline.com Published On :: Fri, 20 Sep 2024 06:00:00 -0400 METALCON is hosting a series of insightful roundtable discussions, each facilitated by an expert member of the Metal Construction Association, at 3 p.m. on Thursday, Oct. 31, at The Exchange area in the exhibit hall. Full Article
metal Metal Construction Association’s 2024 Market Study Now Available for Purchase By www.wconline.com Published On :: Tue, 24 Sep 2024 16:00:00 -0400 For the first time, the Metal Construction Association’s annual MCA Market Study is available for purchase by non-members. Previously only available to members, it is the most comprehensive study of the metal construction industry. Full Article
metal Metal Construction Association Promotes MCM System Fabricator Certification By www.wconline.com Published On :: Fri, 11 Oct 2024 08:00:00 -0400 The Metal Construction Association is reinvigorating its MCM System Fabricator Certification program. Through the program, companies that fabricate metal composite material panels for architectural use can earn certification by meeting requirements for experience, services, MCM system performance and financial strength. Full Article
metal ATAS Introduces MetaFlex Panels at METALCON By www.wconline.com Published On :: Sun, 10 Nov 2024 00:00:00 -0500 ATAS International introduced the newest panel series in its vast product offering at METALCON in Atlanta. The MetaFlex series offers the latest innovations in durable, stylish wall cladding solutions and includes nine panel profiles that are built for strength and designed for beauty, combining superior performance and modern aesthetics. Full Article
metal MetalWorks Torsion Spring Ceilings By www.wconline.com Published On :: Tue, 21 May 2013 16:14:57 -0400 MetalWorks Torsion Spring ceilings are now available with Purewood real wood veneers. Full Article
metal New Metal-Clad Apartment Complex Brings Public Access to Riverfront By www.wconline.com Published On :: Mon, 22 Apr 2024 06:00:00 -0400 From eyesore to public amenity – that’s the journey an unusual site has taken alongside St. Paul, Minnesota’s Mississippi riverfront as just one element in the city’s efforts to turn a former industrial area into a new center for housing and outdoor recreation. Full Article
metal A System for Metal Panels By www.wconline.com Published On :: Sat, 12 Oct 2024 12:00:00 -0400 Recently completed, the Rusu-McCartin Boys & Girls Club stands as a multifaceted triumph for the community. Serving as a beacon of opportunity, the $15.5 million project not only supports the mission of the Boys & Girls Clubs of Chicago, but also serves as a cornerstone for the neighborhood’s revitalization efforts, bringing prosperity to Chicago’s Austin neighborhood and beyond. Full Article
metal The Changing Economics of Metal Stud Framing By www.wconline.com Published On :: Thu, 17 Oct 2024 00:00:00 -0400 The growing global market for the light gauge steel framing industry. Full Article
metal Washington L&I issues hazard alert on metal tank recycling By www.safetyandhealthmagazine.com Published On :: Wed, 24 May 2017 00:00:00 -0400 Tumwater, WA – The Washington State Department of Labor & Industries has released a hazard alert warning of the dangers of exploding tanks during metal recycling. Full Article
metal Platinum group metals: Association releases guide on protecting workers By www.safetyandhealthmagazine.com Published On :: Tue, 09 Jan 2018 00:00:00 -0500 Munich — The International Platinum Group Metals Association has released a guide intended to improve safety for workers who are exposed to platinum group metals. Full Article
metal Metalworking fluids: Trade association releases videos on safe handling By www.safetyandhealthmagazine.com Published On :: Tue, 06 Jun 2023 00:00:00 -0400 Chesham, England — Safe handling and disposal of metalworking fluids is the topic of a new video series and revised guide from the United Kingdom Lubricants Association. Full Article
metal Metal detectable grabber By www.safetyandhealthmagazine.com Published On :: Sun, 28 Jun 2015 00:00:00 -0400 The Squids 3405 Metal Detectable Grabber with Belt Clip not only helps prevent objects from being dropped, it also signals metal detectors in food processing to prevent it from becoming a harmful foreign object. Full Article
metal MSHA issues alerts on hazards at metal, non-metal mines By www.safetyandhealthmagazine.com Published On :: Tue, 02 Sep 2014 00:00:00 -0400 Washington – The Mine Safety and Health Administration has published a pair of hazard alerts in response to an increase in fatalities at metal and non-metal mines. Full Article
metal MSHA releases final rule on examinations in metal, non-metal mines By www.safetyandhealthmagazine.com Published On :: Wed, 25 Jan 2017 00:00:00 -0500 Arlington, VA – The Mine Safety and Health Administration has issued a final rule intended to improve pre-shift examinations of metal and non-metal mines. Full Article
metal MSHA proposes delay of rule on metal, non-metal mine examinations; seeks comment By www.safetyandhealthmagazine.com Published On :: Mon, 27 Mar 2017 00:00:00 -0400 Arlington, VA – The Mine Safety and Health Administration is proposing to delay until July 24 the effective date of a final rule intended to improve pre-shift examinations of metal and non-metal mines. Full Article
metal MSHA delays effective date of metal, non-metal examinations rule By www.safetyandhealthmagazine.com Published On :: Tue, 23 May 2017 00:00:00 -0400 Arlington, VA – The Mine Safety and Health Administration has delayed until Oct. 2 the effective date of a final rule intended to improve pre-shift examinations of metal and non-metal mines, according to a notice published in the May 22 Federal Register. Full Article
metal MSHA seeks to amend, delay final rule on examinations in metal, non-metal mines By www.safetyandhealthmagazine.com Published On :: Wed, 13 Sep 2017 00:00:00 -0400 Arlington, VA – The Mine Safety and Health Administration is proposing to amend a final rule intended to improve pre-shift examinations of metal and non-metal mines, as well as delay its effective date until March 2, according to separate notices published in the Sept. 12 Federal Register. Full Article
metal MSHA modifying metal/nonmetal mining regs to include electronic detonators By www.safetyandhealthmagazine.com Published On :: Thu, 16 Jan 2020 00:00:00 -0500 Washington — The Mine Safety and Health Administration is updating its metal and nonmetal mining regulations to incorporate advances in electronic detonators. Full Article
metal MSHA: Final rule on electronic detonators in metal and nonmetal mines now in effect By www.safetyandhealthmagazine.com Published On :: Thu, 19 Mar 2020 00:00:00 -0400 Washington — The Mine Safety and Health Administration’s direct final rule concerning advances in electronic detonators in metal and nonmetal mines has gone into effect, the agency announced March 18. Full Article
metal FACE Report: Roofer falls while constructing leading edge of metal roof By www.safetyandhealthmagazine.com Published On :: Tue, 22 Aug 2023 00:00:00 -0400 A 35-year-old roofer was part of a nine-member crew constructing the leading edge of a metal roof on a warehouse. The roofer was walking toward his lifeline and about 8 feet away from it when he fell from the unprotected edge. Full Article
metal Furnace hazards in scrap metal recycling By www.safetyandhealthmagazine.com Published On :: Fri, 01 Feb 2013 00:00:00 -0500 The scrap metal recycling industry is large, intricate and full of dangerous processing techniques that pose a variety of safety and health hazards to workers, according to OSHA. Full Article
metal How to Reduce Heavy Metals in Food Supply By www.preparedfoods.com Published On :: Fri, 01 Nov 2024 06:00:00 -0400 The white paper also calls attention to mitigation strategies and highlights research, collaboration, and public health communication needs to better address the issue while also offering insight into how a global, interdisciplinary approach can expedite solutions. Full Article
metal How to choose X-ray and metal detection equipment By www.foodengineeringmag.com Published On :: Fri, 26 Jan 2018 09:00:00 -0500 Both X-ray and metal detection machines can prevent a lot of headaches. But if this is your first time purchasing a system, determining which is right for your operations can be confusing. Full Article
metal Prioritizing Food Safety—Metal Detection in Milchwerke Schwaben’s Dairy Processing By www.foodengineeringmag.com Published On :: Thu, 22 Jun 2023 00:00:00 -0400 Milchwerke Schwaben’s presence in the dairy industry starts as early as 1922, dairy farmers in Ulm, Germany joined together to form a cooperative that would make it possible to produce dairy products with greater efficiency. This merger resulted in a company whose products meet the needs of consumers throughout Germany and abroad. Full Article
metal Revealing Metal Detection Challenges for Dairy Applications By www.foodengineeringmag.com Published On :: Wed, 15 May 2024 08:00:00 -0400 Changing characteristics, product and orientation effect can disrupt product signals and affect detection sensitivity if not addressed. However, digital technologies and machine learning are pushing the innovation boundaries and streamlining inspection processes. Full Article
metal METTLER TOLEDO Introduces HazLoc-Compliant Metal Detectors By www.foodengineeringmag.com Published On :: Tue, 30 May 2023 08:00:00 -0400 Designed for manufacturing environments where dust-producing products can create an explosive atmosphere, the cETLus-certified systems adhere to construction standards and fulfill the requirements for Class II, Division 2 Hazardous locations. Full Article
metal Tuning the Catalytic Behavior of Metal Oxides By www.newswise.com Published On :: Tue, 12 Nov 2024 14:45:40 EST The behavior of catalysts that promote chemical reactions is not always straightforward. Using a combination of experiments and computer simulations, scientists now understand how oxygen affects the way the catalyst copper oxide reacts with hydrogen versus carbon monoxide gases and how to control and enhance related chemical reactions. Full Article
metal UK assessment of technology-critical minerals and metals - British Geological Survey By news.google.com Published On :: Thu, 12 Oct 2023 08:45:08 GMT UK assessment of technology-critical minerals and metals British Geological Survey Full Article
metal Improving the reliability of small- and wide-angle X-ray scattering measurements of anisotropic precipitates in metallic alloys using sample rotation By journals.iucr.org Published On :: Rotations of small- and wide-angle X-ray scattering samples during acquisition are shown to give a drastic improvement in the reliability of the characterization of anisotropic precipitates in metallic alloys. Full Article text
metal Improving the reliability of small- and wide-angle X-ray scattering measurements of anisotropic precipitates in metallic alloys using sample rotation By journals.iucr.org Published On :: 2024-11-04 Nanometric precipitates in metallic alloys often have highly anisotropic shapes. Given the large grain size and non-random texture typical of these alloys, performing small- and wide-angle X-ray scattering (SAXS/WAXS) measurements on such samples for determining their characteristics (typically size and volume fraction) results in highly anisotropic and irreproducible data. Rotations of flat samples during SAXS/WAXS acquisitions are presented here as a solution to these anisotropy issues. Two aluminium alloys containing anisotropic precipitates are used as examples to validate the approach with a −45°/45° angular range. Clear improvements can be seen on the SAXS I(q) fitting and the consistency between the different SAXS/WAXS measurements. This methodology results in more reliable measurements of the precipitate's characteristics, and thus allows for time- and space-resolved measurements with higher accuracy. Full Article text
metal The role of carboxylate ligand orbitals in the breathing dynamics of a metal-organic framework by resonant X-ray emission spectroscopy By journals.iucr.org Published On :: 2024-02-16 Metal-organic frameworks (MOFs) exhibit structural flexibility induced by temperature and guest adsorption, as demonstrated in the structural breathing transition in certain MOFs between narrow-pore and large-pore phases. Soft modes were suggested to entropically drive such pore breathing through enhanced vibrational dynamics at high temperatures. In this work, oxygen K-edge resonant X-ray emission spectroscopy of the MIL-53(Al) MOF was performed to selectively probe the electronic perturbation accompanying pore breathing dynamics at the ligand carboxylate site for metal–ligand interaction. It was observed that the temperature-induced vibrational dynamics involves switching occupancy between antisymmetric and symmetric configurations of the carboxylate oxygen lone pair orbitals, through which electron density around carboxylate oxygen sites is redistributed and metal–ligand interactions are tuned. In turn, water adsorption involves an additional perturbation of π orbitals not observed in the structural change solely induced by temperature. Full Article text
metal Improving sensitivity of XANES structural fit to the bridged metal–metal coordination By journals.iucr.org Published On :: 2024-03-26 Hard X-ray absorption spectroscopy is a valuable in situ probe for non-destructive diagnostics of metal sites. The low-energy interval of a spectrum (XANES) contains information about the metal oxidation state, ligand type, symmetry and distances in the first coordination shell but shows almost no dependency on the bridged metal–metal bond length. The higher-energy interval (EXAFS), on the contrary, is more sensitive to the coordination numbers and can decouple the contribution from distances in different coordination shells. Supervised machine-learning methods can combine information from different intervals of a spectrum; however, computational approaches for the near-edge region of the spectrum and higher energies are different. This work aims to keep all benefits of XANES and extend its sensitivity towards the interatomic distances in the first and second coordination shells. Using a binuclear bridged copper complex as a case study and cross-validation analysis as a quantitative tool it is shown that the first 170 eV above the edge are already sufficient to balance the contributions of Cu–O/N scattering and Cu–Cu scattering. As a more general outcome this work highlights the trivial but often overlooked importance of using `longer' energy intervals of XANES for structural refinement and machine-learning predictions. The first 200 eV above the absorption edge still do not require parametrization of Debye–Waller damping and can be calculated within full multiple scattering or finite difference approximations with only moderately increased computational costs. Full Article text
metal Synthesis, characterization and structural analysis of complexes from 2,2':6',2''-terpyridine derivatives with transition metals By journals.iucr.org Published On :: 2024-05-16 The synthesis and structural characterization of three families of coordination complexes synthesized from 4'-phenyl-2,2':6',2''-terpyridine (8, Ph-TPY), 4'-(4-chlorophenyl)-2,2':6',2''-terpyridine (9, ClPh-TPY) and 4'-(4-methoxyphenyl)-2,2':6',2''-terpyridine (10, MeOPh-TPY) ligands with the divalent metals Co2+, Fe2+, Mn2+ and Ni2+ are reported. The compounds were synthesized from a 1:2 mixture of the metal and ligand, resulting in a series of complexes with the general formula [M(R-TPY)2](ClO4)2 (where M = Co2+, Fe2+, Mn2+ and Ni2+, and R-TPY = Ph-TPY, ClPh-TPY and MeOPh-TPY). The general formula and structural and supramolecular features were determinated by single-crystal X-ray diffraction for bis(4'-phenyl-2,2':6',2''-terpyridine)nickel(II) bis(perchlorate), [Ni(C21H15N3)2](ClO4)2 or [Ni(Ph-TPY)2](ClO4)2, bis[4'-(4-methoxyphenyl)-2,2':6',2''-terpyridine]manganese(II) bis(perchlorate), [Mn(C22H17N3O)2](ClO4)2 or [Mn(MeOPh-TPY)2](ClO4)2, and bis(4'-phenyl-2,2':6',2''-terpyridine)manganese(II) bis(perchlorate), [Mn(C21H15N3)2](ClO4)2 or [Mn(Ph-TPY)2](ClO4)2. In all three cases, the complexes present distorted octahedral coordination polyhedra and the crystal packing is determined mainly by weak C—H⋯π interactions. All the compounds (except for the Ni derivatives, for which FT–IR, UV–Vis and thermal analysis are reported) were fully characterized by spectroscopic (FT–IR, UV–Vis and NMR spectroscopy) and thermal (TGA–DSC, thermogravimetric analysis–differential scanning calorimetry) methods. Full Article text
metal Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase By journals.iucr.org Published On :: 2024-03-21 Lanthanide ions have ideal chemical properties for catalysis, such as hard Lewis acidity, fast ligand-exchange kinetics, high coordination-number preferences and low geometric requirements for coordination. As a result, many small-molecule lanthanide catalysts have been described in the literature. Yet, despite the ability of enzymes to catalyse highly stereoselective reactions under gentle conditions, very few lanthanoenzymes have been investigated. In this work, the mononuclear binding of europium(III) and gadolinium(III) to the active site of a mutant of the model enzyme phosphotriesterase are described using X-ray crystallography at 1.78 and 1.61 Å resolution, respectively. It is also shown that despite coordinating a single non-natural metal cation, the PTE-R18 mutant is still able to maintain esterase activity. Full Article text
metal A database overview of metal-coordination distances in metalloproteins By journals.iucr.org Published On :: 2024-04-29 Metalloproteins are ubiquitous in all living organisms and take part in a very wide range of biological processes. For this reason, their experimental characterization is crucial to obtain improved knowledge of their structure and biological functions. The three-dimensional structure represents highly relevant information since it provides insight into the interaction between the metal ion(s) and the protein fold. Such interactions determine the chemical reactivity of the bound metal. The available PDB structures can contain errors due to experimental factors such as poor resolution and radiation damage. A lack of use of distance restraints during the refinement and validation process also impacts the structure quality. Here, the aim was to obtain a thorough overview of the distribution of the distances between metal ions and their donor atoms through the statistical analysis of a data set based on more than 115 000 metal-binding sites in proteins. This analysis not only produced reference data that can be used by experimentalists to support the structure-determination process, for example as refinement restraints, but also resulted in an improved insight into how protein coordination occurs for different metals and the nature of their binding interactions. In particular, the features of carboxylate coordination were inspected, which is the only type of interaction that is commonly present for nearly all metals. Full Article text
metal Time-series analysis of rhenium(I) organometallic covalent binding to a model protein for drug development By journals.iucr.org Published On :: 2024-04-19 Metal-based complexes with their unique chemical properties, including multiple oxidation states, radio-nuclear capabilities and various coordination geometries yield value as potential pharmaceuticals. Understanding the interactions between metals and biological systems will prove key for site-specific coordination of new metal-based lead compounds. This study merges the concepts of target coordination with fragment-based drug methodologies, supported by varying the anomalous scattering of rhenium along with infrared spectroscopy, and has identified rhenium metal sites bound covalently with two amino acid types within the model protein. A time-based series of lysozyme-rhenium-imidazole (HEWL-Re-Imi) crystals was analysed systematically over a span of 38 weeks. The main rhenium covalent coordination is observed at His15, Asp101 and Asp119. Weak (i.e. noncovalent) interactions are observed at other aspartic, asparagine, proline, tyrosine and tryptophan side chains. Detailed bond distance comparisons, including precision estimates, are reported, utilizing the diffraction precision index supplemented with small-molecule data from the Cambridge Structural Database. Key findings include changes in the protein structure induced at the rhenium metal binding site, not observed in similar metal-free structures. The binding sites are typically found along the solvent-channel-accessible protein surface. The three primary covalent metal binding sites are consistent throughout the time series, whereas binding to neighbouring amino acid residues changes through the time series. Co-crystallization was used, consistently yielding crystals four days after setup. After crystal formation, soaking of the compound into the crystal over 38 weeks is continued and explains these structural adjustments. It is the covalent bond stability at the three sites, their proximity to the solvent channel and the movement of residues to accommodate the metal that are important, and may prove useful for future radiopharmaceutical development including target modification. Full Article text
metal On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors By journals.iucr.org Published On :: 2024-08-15 This study examines various methods for modelling the electron density and, thus, the electrostatic potential of an organometallic complex for use in crystal structure refinement against 3D electron diffraction (ED) data. It focuses on modelling the scattering factors of iron(III), considering the electron density distribution specific for coordination with organic linkers. We refined the structural model of the metal–organic complex, iron(III) acetylacetonate (FeAcAc), using both the independent atom model (IAM) and the transferable aspherical atom model (TAAM). TAAM refinement initially employed multipolar parameters from the MATTS databank for acetylacetonate, while iron was modelled with a spherical and neutral approach (TAAM ligand). Later, custom-made TAAM scattering factors for Fe—O coordination were derived from DFT calculations [TAAM-ligand-Fe(III)]. Our findings show that, in this compound, the TAAM scattering factor corresponding to Fe3+ has a lower scattering amplitude than the Fe3+ charged scattering factor described by IAM. When using scattering factors corresponding to the oxidation state of iron, IAM inaccurately represents electrostatic potential maps and overestimates the scattering potential of the iron. In addition, TAAM significantly improved the fitting of the model to the data, shown by improved R1 values, goodness-of-fit (GooF) and reduced noise in the Fourier difference map (based on the residual distribution analysis). For 3D ED, R1 values improved from 19.36% (IAM) to 17.44% (TAAM-ligand) and 17.49% (TAAM-ligand-Fe3+), and for single-crystal X-ray diffraction (SCXRD) from 3.82 to 2.03% and 1.98%, respectively. For 3D ED, the most significant R1 reductions occurred in the low-resolution region (8.65–2.00 Å), dropping from 20.19% (IAM) to 14.67% and 14.89% for TAAM-ligand and TAAM-ligand-Fe(III), respectively, with less improvement in high-resolution ranges (2.00–0.85 Å). This indicates that the major enhancements are due to better scattering modelling in low-resolution zones. Furthermore, when using TAAM instead of IAM, there was a noticeable improvement in the shape of the thermal ellipsoids, which more closely resembled those of an SCXRD-refined model. This study demonstrates the applicability of more sophisticated scattering factors to improve the refinement of metal–organic complexes against 3D ED data, suggesting the need for more accurate modelling methods and highlighting the potential of TAAM in examining the charge distribution of large molecular structures using 3D ED. Full Article text
metal CheckMyMetal (CMM): validating metal-binding sites in X-ray and cryo-EM data By journals.iucr.org Published On :: 2024-08-14 Identifying and characterizing metal-binding sites (MBS) within macromolecular structures is imperative for elucidating their biological functions. CheckMyMetal (CMM) is a web based tool that facilitates the interactive validation of MBS in structures determined through X-ray crystallography and cryo-electron microscopy (cryo-EM). Recent updates to CMM have significantly enhanced its capability to efficiently handle large datasets generated from cryo-EM structural analyses. In this study, we address various challenges inherent in validating MBS within both X-ray and cryo-EM structures. Specifically, we examine the difficulties associated with accurately identifying metals and modeling their coordination environments by considering the ongoing reproducibility challenges in structural biology and the critical importance of well annotated, high-quality experimental data. CMM employs a sophisticated framework of rules rooted in the valence bond theory for MBS validation. We explore how CMM validation parameters correlate with the resolution of experimentally derived structures of macromolecules and their complexes. Additionally, we showcase the practical utility of CMM by analyzing a representative cryo-EM structure. Through a comprehensive examination of experimental data, we demonstrate the capability of CMM to advance MBS characterization and identify potential instances of metal misassignment. Full Article text
metal Tuning structural modulation and magnetic properties in metal–organic coordination polymers [CH3NH3]CoxNi1−x(HCOO)3 By journals.iucr.org Published On :: 2024-09-24 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. Full Article text
metal Elastic and inelastic strain in submicron-thick ZnO epilayers grown on r-sapphire substrates by metal–organic vapour phase deposition By journals.iucr.org Published On :: 2024-02-13 A significant part of the present and future of optoelectronic devices lies on thin multilayer heterostructures. Their optical properties depend strongly on strain, being essential to the knowledge of the stress level to optimize the growth process. Here the structural and microstructural characteristics of sub-micron a-ZnO epilayers (12 to 770 nm) grown on r-sapphire by metal–organic chemical vapour deposition are studied. Morphological and structural studies have been made using scanning electron microscopy and high-resolution X-ray diffraction. Plastic unit-cell distortion and corresponding strain have been determined as a function of film thickness. A critical thickness has been observed as separating the non-elastic/elastic states with an experimental value of 150–200 nm. This behaviour has been confirmed from ultraviolet photoelectron spectroscopy, X-ray photoelectron spectroscopy and high-resolution transmission electron microscopy measurements. An equation that gives the balance of strains is proposed as an interesting method to experimentally determine this critical thickness. It is concluded that in the thinnest films an elongation of the Zn—O bond takes place and that the plastic strained ZnO films relax through nucleation of misfit dislocations, which is a consequence of three-dimensional surface morphology. Full Article text
metal Synthesis and crystal structure of diisothiocyanatotetrakis(4-methylpyridine N-oxide)cobalt(II) and diisothiocyanatotris(4-methylpyridine N-oxide)cobalt(II) showing two different metal coor By journals.iucr.org Published On :: 2024-01-26 The reaction of Co(NCS)2 with 4-methylpyridine N-oxide (C6H7NO) leads to the formation of two compounds, namely, tetrakis(4-methylpyridine N-oxide-κO)bis(thiocyanato-κN)cobalt(II), [Co(NCS)2(C6H7NO)4] (1), and tris(4-methylpyridine N-oxide-κO)bis(thiocyanato-κN)cobalt(II), [Co(NCS)2(C6H7NO)3] (2). The asymmetric unit of 1 consists of one CoII cation located on a centre of inversion, as well as one thiocyanate anion and two 4-methylpyridine N-oxide coligands in general positions. The CoII cations are octahedrally coordinated by two terminal N-bonding thiocyanate anions in trans positions and four 4-methylpyridine N-oxide ligands. In the extended structure, these complexes are linked by C—H⋯O and C—H⋯S interactions. In compound 2, two crystallographically independent complexes are present, which occupy general positions. In each of these complexes, the CoII cations are coordinated in a trigonal–bipyramidal manner by two terminal N-bonding thiocyanate anions in axial positions and by three 4-methylpyridine N-oxide ligands in equatorial positions. In the crystal, these complex molecules are linked by C—H⋯S interactions. For compound 2, a nonmerohedral twin refinement was performed. Powder X-ray diffraction (PXRD) reveals that 2 was nearly obtained as a pure phase, which is not possible for compound 1. Differential thermoanalysis and thermogravimetry data (DTA–TG) show that compound 2 start to decompose at about 518 K. Full Article text