Search results for "Ionic radius"
showing 9 items of 29 documents
Sol-gel assisted molten-salt synthesis of novel single phase Y3–2xCa2xTaxAl5−xO12:1%Eu garnet structure phosphors
2022
Strong absorption and emission are the key the features of any phosphor. The results obtained during this study demonstrate the difficulty of the incorporation of tantalum ions into the garnet structure and reveal that only the combination of Sol-Gel synthesis method together with Molten-Salt technique enable to obtain a single-phase cubic garnet structure. Note that, the Sol-Gel synthesis assisted by further processing by Molten-Salt technique can be a potentially new way of material preparation reported in literature. This work also proves that this combination of synthesis methods is much more capable of incorporating ions with large ionic radii into the garnet structure as compared to t…
Thorium partitioning in Greek industrial bauxite investigated by synchrotron radiation and laser-ablation techniques
2011
Abstract Typical red–brown (Fe-rich) and high-quality white–grey (Fe-depleted) bauxite samples from active mines of the Parnassos-Ghiona area, central Greece, were investigated. According to XRF and ICP-MS analyses their actinide content, and particularly of Th, is relatively increased. Fe-depleted samples contain up to 62.75 ppm Th corresponding to 220 Bq/kg due to 228Ac (232Th-series), whereas Fe-rich samples are less Th-radioactive (up to 58.25 ppm Th, 180 Bq/kg due to 228Ac). Powder-XRD patterns showed that Th-enriched (Fe-depleted) bauxite consists mostly of diaspore (AlOOH polymorph), anatase and rutile (TiO2 polymorphs). SEM-EDS indicated the presence of Ti–Fe–containing phases (e.g.…
LEAD-FREE (Na0.5Bi0.5)1-xBaxTiO3 SINGLE CRYSTALS (0 ≤ x ≤ 0.05) AND THEIR DIELECTRIC AND PYROELECTRIC PROPERTIES
2009
ABSTRACT Lead-free single crystals of Na0.5Bi0.5TiO3-BaTiO3 (NBT-BT) system were prepared by Czochralski method and their dielectric and pyroelectric properties have been studied. The results were compared with these for pure NBT. The obtained samples show pure perovskite structure with rhombohedral symmetry at room temperature. Low frequency (100 Hz–100 kHz) investigations reveal the diffuse phase transitions. The obtained results are discussed in terms of local electric and strain fields caused by different ionic radius of (Na, Bi) and Ba ions. The NBT-BT system is expected to be a new promising candidate for lead-free electronic crystals.
Experimental and Theoretical Study of SbPO 4 under Compression
2019
SbPO4 is a complex monoclinic layered material characterized by a strong activity of the non-bonding lone electron pair (LEP) of Sb. The strong cation LEP leads to the formation of layers piled up along the a-axis and linked by weak Sb-O electrostatic interactions. In fact, Sb is 4-fold coordination with O similar to what occurs with the P-O coordination, despite the large difference of ionic radii and electronegativity between both elements. Here we report a joint experimental and theoretical study of the structural and vibrational properties of SbPO4 at high pressure. We show that SbPO4 is not only one of the most compressible phosphates but also one of the most compressible compounds of …
Stability of Rare-Earth Oxychloride Phases: Bond Valence Study
2002
Abstract The crystal structures of the tetragonal rare earth ( RE ) oxychlorides, RE OCl ( RE =La–Nd, Sm–Ho, and Y) were studied by X-ray powder diffraction measurements, Rietveld analyses, and bond valence calculations. The tetragonal structure (space group P 4/ nmm , No. 129, Z =2) is stable for all but Er–Lu oxychlorides, which possess a hexagonal structure. The tetragonal structure consists of alternating layers of ( RE O) n n + complex cations and X n − anions, where the rare earth is coordinated to four oxygens and four plus one chlorines in a monocapped tetragonal antiprism arrangement. The Rietveld analyses yielded a coherent series of structural parameters. Preferred orientation an…
Pseudopeptidic ligands: exploring the self-assembly of isophthaloylbisglycine (H2IBG) and divalent metal ions.
2012
We present a systematic study of the complexation of the new pseudopeptidic ligand isophthaloylbisglycine (H(2)IBG) with divalent metal ions of varying ionic radius. This work represents the initial employment of H(2)IBG in the coordination chemistry of alkaline earth, 3d transition, Zn(II) and Cd(II) metal elements. Infrared, NMR, thermal, magnetic, adsorption and theoretical studies of these compounds are also discussed.
Structure and reactivity of a mononuclear gold(II) complex.
2017
Mononuclear gold(II) complexes are very rare labile species. Transient gold(II) species have been suggested in homogeneous catalysis and in medical applications, but their geometric and electronic structures have remained essentially unexplored: even fundamental data, such as the ionic radius of gold(II), are unknown. Now, an unprecedentedly stable neutral gold(II) complex of a porphyrin derivative has been isolated, and its structural and spectroscopic features determined. The gold atom adopts a 2+2 coordination mode in between those of gold(III) (four-coordinate square planar) and gold(I) (two-coordinate linear), owing to a second-order Jahn–Teller distortion enabled by the relativistical…
Ion size effects on the current efficiency of narrow charged pores
2001
Abstract The effects of ion size on the current efficiency (CE) of charged membranes with narrow pores are studied theoretically. The CE is a measure of the membrane permselectivity defined as the ratio between the counterion flux and the sum of the counterion and coion fluxes when an electric potential difference is applied between the two solutions bathing the membrane. It is studied here as a function of two relevant experimental parameters: the ratio between the ionic radius and the pore radius, and the ratio between the external salt concentration and the membrane fixed charge concentration. The ratio of the CE values corresponding to the point and finite size ions is also calculated a…
Gallium preference for the occupation of tetrahedral sites in Lu3(Al5-xGax)O12multicomponent garnet scintillators according to solid-state nuclear ma…
2019
Abstract In this study, the distributions of aluminum and gallium atoms over the tetrahedral and octahedral sites in the garnet structure were investigated in mixed Lu3Al5-xGaxO12 crystals by using 27Al and 71Ga magic angle spinning nuclear magnetic resonance (NMR) and single crystal 71Ga NMR. The experimental study was supported by theoretical calculations based on density functional theory (DFT) in order to predict the trends in terms of the substitutions of Al by Ga in the mixed garnets. Both the experimental and theoretical results indicated the non-uniform distribution of Al and Ga over the tetrahedral and octahedral sites in the garnet structure, with a strong preference for Ga occupy…