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322 result(s) for "sodalite"
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Superconductive sodalite-like clathrate calcium hydride at high pressures
Hydrogen-rich compounds hold promise as high-temperature superconductors under high pressures. Recent theoretical hydride structures on achieving high-pressure superconductivity are composed mainly of H₂ fragments. Through a systematic investigation of Ca hydrides with different hydrogen contents using particleswam optimization structural search, we show that in the stoichiometry CaH₆ a body-centered cubic structure with hydrogen that forms unusual \"sodalite\" cages containing enclathrated Ca stabilizes above pressure 150 GPa. The stability of this structure is derived from the acceptance by two H₂ of electrons donated by Ca forming an \"H₄\"unit as the building block in the construction of the three-dimensional sodalite cage. This unique structure has a partial occupation of the degenerated orbitals at the zone center. The resultant dynamic Jahn-Teller effect helps to enhance electron-phonon coupling and leads to superconductivity of CaH₆. A superconducting critical temperature (Tc) of 220-235 K at 150 GPa obtained from the solution of the Eliashberg equations is the highest among all hydrides studied thus far.
Structural Features, Chemical Diversity, and Physical Properties of Microporous Sodalite-Type Materials: A Review
This review contains data on a wide class of microporous materials with frameworks belonging to the sodalite topological type. Various methods for the synthesis of these materials, their structural and crystal chemical features, as well as physical and chemical properties are discussed. Specific properties of sodalite-related materials make it possible to consider they as thermally stable ionic conductors, catalysts and catalyst carriers, sorbents, ion exchangers for water purification, matrices for the immobilization of radionuclides and heavy metals, hydrogen and methane storage, and stabilization of chromophores and phosphors. It has been shown that the diversity of properties of sodalite-type materials is associated with the chemical diversity of their frameworks and extra-framework components, as well as with the high elasticity of the framework.
Synthesis and Evaluation of HSOD/PSF and SSOD/PSF Membranes for Removal of Phenol from Industrial Wastewater
Phenol is regarded as a major pollutant, as the toxicity levels are in the range of 9–25 mg/L for aquatic life and humans. This study embedded silica sodalite (SSOD) and hydroxy sodalite (HSOD) nanoparticles into polysulfone (PSF) for enhancement of its physicochemical properties for treatment of phenol-containing wastewater. The pure polysulfone membranes and sodalite-infused membranes were synthesized via phase inversion. To check the surface morphology, surface hydrophilicity, surface functionality, surface roughness and measure the mechanical properties of the membranes, characterization techniques such as Scanning Electron Microscope (SEM), contact angle measurements, Fourier Transform Infrared, Atomic Force Microscopy (AFM) nanotensile tests were used, respectively. The morphology of the composite membranes showed incorporation of the sodalite crystals decreased the membrane porosity. The results obtained showed the highest contact angle of 83.81° for pure PSF as compared to that of the composite membranes. The composite membranes with 10 wt.% HSOD/PSF and 10 wt.% SSOD/PSF showed mechanical enhancement as indicated by a 20.96% and 19.69% increase in ultimate tensile strength, respectively compared to pure PSF. The performance evaluation of the membranes was done using a dead-end filtration cell at varied feed pressure. Synthetic phenol-containing wastewater was prepared by dissolving one gram of phenol crystals in 1 L of deionized water and used in this study. Results showed higher flux for sodalite infused membranes than pure PSF for both pure and phenol-containing water. However, pure PSF showed the highest phenol rejection of 93.55% as compared to 63.65% and 64.75% achieved by 10 wt.% HSOD/PSF and 10 wt.% SSOD/PSF, respectively. The two sodalite infused membranes have shown enhanced mechanical properties and permeability during treatment of phenol in synthetic wastewater.
Origin of the bright photoluminescence of few-atom silver clusters confined in LTA zeolites
Small silver clusters stabilized by organic materials or inorganic surfaces can exhibit bright photoluminescence, but the origin of this effect has been difficult to establish, in part because the materials are heterogeneous and contain many larger but inactive clusters. Grandjean et al. studied silver clusters in zeolites, using x-ray excited optical luminescence to monitor only the emissive structures (see the Perspective by Quintanilla and Liz-Marzán). Aided by theoretical calculations, they identified the electronic states of four-atom silver clusters bound with water molecules that produce bright green emission—thus identifying candidate materials for application in lighting, imaging, and therapeutics. Science , this issue p. 686 ; see also p. 645 The bright luminescence of Ag-LTA zeolites originates from long-lived triplet states in Ag 4 (H 2 O) 2 and Ag 4 (H 2 O) 4 clusters. Silver (Ag) clusters confined in matrices possess remarkable luminescence properties, but little is known about their structural and electronic properties. We characterized the bright green luminescence of Ag clusters confined in partially exchanged Ag–Linde Type A (LTA) zeolites by means of a combination of x-ray excited optical luminescence-extended x-ray absorption fine structure, time-dependent–density functional theory calculations, and time-resolved spectroscopy. A mixture of tetrahedral Ag 4 (H 2 O) x 2+ ( x = 2 and x = 4) clusters occupies the center of a fraction of the sodalite cages. Their optical properties originate from a confined two-electron superatom quantum system with hybridized Ag and water O orbitals delocalized over the cluster. Upon excitation, one electron of the s-type highest occupied molecular orbital is promoted to the p-type lowest unoccupied molecular orbitals and relaxes through enhanced intersystem crossing into long-lived triplet states.
Properties and Colouration of Orange Hackmanite from Afghanistan
Since the latter half of 2023, yellow-orange to deep orange hackmanite from Badakhshan, Afghanistan, has appeared on the gem market. Eight faceted samples were examined for this report that were light yellowish orange to strong orange, and exposure to UV radiation caused them to become pinkish orange to orangey red. The addition of a purple colour component due to UV exposure is consistent with the photochromism typically observed in hackmanite. An absorption band at 480 nm is responsible for the orange hue, but it does not correspond to any other known colour centre in the sodalite structure. The presence of unaltered two- and three-phase fluid inclusions suggests that the samples had not been heated. Repeated exposure to UV radiation eventually causes the stable colour to fade (to light orangey yellow) and also diminishes the photochromic behavior, so we conclude that the 480 nm band is most likely due to irradiation, which could be natural, artificial or both. Irradiation experiments performed on faded samples prove that the unstable deep orange colour, as well as the photochromic behaviour, can be temporarily restored by exposure to 150 kGy of gamma-ray radiation.
Gas-sieving zeolitic membranes fabricated by condensation of precursor nanosheets
The synthesis of molecular-sieving zeolitic membranes by the assembly of building blocks, avoiding the hydrothermal treatment, is highly desired to improve reproducibility and scalability. Here we report exfoliation of the sodalite precursor RUB-15 into crystalline 0.8-nm-thick nanosheets, that host hydrogen-sieving six-membered rings (6-MRs) of SiO 4 tetrahedra. Thin films, fabricated by the filtration of a suspension of exfoliated nanosheets, possess two transport pathways: 6-MR apertures and intersheet gaps. The latter were found to dominate the gas transport and yielded a molecular cutoff of 3.6 Å with a H 2 /N 2 selectivity above 20. The gaps were successfully removed by the condensation of the terminal silanol groups of RUB-15 to yield H 2 /CO 2 selectivities up to 100. The high selectivity was exclusively from the transport across 6-MR, which was confirmed by a good agreement between the experimentally determined apparent activation energy of H 2 and that computed by ab initio calculations. The scalable fabrication and the attractive sieving performance at 250–300 °C make these membranes promising for precombustion carbon capture. Zeolite membranes can be used for gas molecular sieving, but synthesis requires complex hydrothermal treatment. Here, single layers of zeolite precursor RUB-15 are exfoliated followed by a condensation reaction, forming zeolite membranes with H 2 /CO 2 selectivity of 20 to 100 in a facile process.
Loading single lanthanide ion into aluminum molecular rings: water-stable sodalite cage for removal of nuclear-industry anions
Based on our discovery of neutral aluminum molecular rings, we herein introduce rare earth ions into the center of the ring and reveal their structural adaptability. The resulting yoyo-like cationic macrocycles are highly adaptive to guests, creating unusual supramolecular assemblies. The first category is stacked with singly oriented rhombohedral channels, which exhibit fast and reversible solvent-triggered molecular motions and structural rearrangements The second type of assembly is that yoyo macrocycles and guest molecules form a nested host-guest sodalite cage supramolecular structure. It is uncommon for guest molecules to be well-defined within cages although caged structures have been well-documented Their host-guest interaction discussion reveals the self-adaptation and flexibility of the yoyo macrocycles. Considering their good water stability, we investigated their anion exchange properties. The results show that they have significant exchange capacity for KI/I 2 , ReO 4 − , and MnO 4 − , revealing their potential application in water purification and nuclear waste treatment.
Ceramic Mineral Waste-Forms for Nuclear Waste Immobilization
Crystalline ceramics are intensively investigated as effective materials in various nuclear energy applications, such as inert matrix and accident tolerant fuels and nuclear waste immobilization. This paper presents an analysis of the current status of work in this field of material sciences. We have considered inorganic materials characterized by different structures, including simple oxides with fluorite structure, complex oxides (pyrochlore, murataite, zirconolite, perovskite, hollandite, garnet, crichtonite, freudenbergite, and P-pollucite), simple silicates (zircon/thorite/coffinite, titanite (sphen), britholite), framework silicates (zeolite, pollucite, nepheline /leucite, sodalite, cancrinite, micas structures), phosphates (monazite, xenotime, apatite, kosnarite (NZP), langbeinite, thorium phosphate diphosphate, struvite, meta-ankoleite), and aluminates with a magnetoplumbite structure. These materials can contain in their composition various cations in different combinations and ratios: Li–Cs, Tl, Ag, Be–Ba, Pb, Mn, Co, Ni, Cu, Cd, B, Al, Fe, Ga, Sc, Cr, V, Sb, Nb, Ta, La, Ce, rare-earth elements (REEs), Si, Ti, Zr, Hf, Sn, Bi, Nb, Th, U, Np, Pu, Am and Cm. They can be prepared in the form of powders, including nano-powders, as well as in form of monolith (bulk) ceramics. To produce ceramics, cold pressing and sintering (frittage), hot pressing, hot isostatic pressing and spark plasma sintering (SPS) can be used. The SPS method is now considered as one of most promising in applications with actual radioactive substances, enabling a densification of up to 98–99.9% to be achieved in a few minutes. Characteristics of the structures obtained (e.g., syngony, unit cell parameters, drawings) are described based upon an analysis of 462 publications.
Spectroscopic and Crystal-Chemical Features of Sodalite-Group Minerals from Gem Lazurite Deposits
Five samples of differently colored sodalite-group minerals from gem lazurite deposits were studied by means of electron microprobe and wet chemical analyses, infrared, Raman, electron spin resonance (ESR) and UV-Visible spectroscopy, and X-ray diffraction. Various extra-framework components (SO42−, S2− and Cl− anions, S3•−, S2•− and SO3•− radical anions, H2O, CO2, COS, cis- as well as trans- or gauche-S4 neutral molecules have been identified. It is shown that S3•− and S4 are the main blue and purple chromophores, respectively, whereas the S2•− yellow chromophore and SO3•− blue chromophore play a subordinate role. X-ray diffraction patterns of all samples of sodalite-group minerals from lazurite deposits studied in this work contain superstructure reflections which indicate different kinds of incommensurate modulation of the structures.
Crystal Chemistry, Isomorphism, and Thermal Conversions of Extra-Framework Components in Sodalite-Group Minerals
Isomorphic substitutions of extra-framework components in sodalite-group aluminosilicate minerals and their thermal conversions have been investigated using infrared, Raman, electron spin resonance (ESR), as well as ultraviolet, visible and near infrared (UV–Vis–near IR) absorption spectroscopy methods and involving chemical and X-ray diffraction data. Sodalite-related minerals from gem lazurite deposits (haüyne, lazurite, and slyudyankaite) are characterized by wide variations in S-bearing extra-framework components including SO42− and various polysulfide groups (S2●−, S3●−, S4●− radical anions, and S4 and S6 neutral molecules) as well as the presence of CO2 molecules. Heating at 700 °C under reducing conditions results in the transformation of initial S-bearing groups SO42− and S3●− to a mixture of S2−, HS−, S2●−, and S4●− and transformation of CO2 to a mixture of CO32− and C2O42− or HC2O4− anionic groups. Further heating at 800 °C in air results in the decomposition of carbonate and oxalate groups, restoration of the SO42− and S3●− groups, and a sharp transformation of the framework. The HS− anion is stable only under reducing conditions, whereas the S3●− radical anion is the most stable polysulfide group. The HS−-dominant sodalite-group mineral sapozhnikovite forms a wide solid-solution series with sodalite. The conditions required for the formation of HS−- and CO20-bearing sodalite-group minerals are discussed.