Search results for "rietveld refinement"
showing 10 items of 68 documents
Synthesis and crystal structure of the α polytype of HfNBr
2002
Abstract α-HfNBr has been prepared at 760 °C in a sealed evacuated fused silica tube by reaction between NH4Br and Hf followed by purification through chemical vapour transport under a temperature gradient. The crystal structure of this compound at room temperature has been determined for the first time by Rietveld refinement of X-ray powder diffraction data, electron diffraction and high resolution electron microscopy. It crystallises in the orthorhombic space group Pmmn with the unit cell parameters a=4.1165(2), b=3.5609(2), c=8.6440(3) A. α-HfNBr is isotypic to FeOCl and is built from layers of composition BrHfNNHfBr stacked along c that are separated by a Van der Waals gap. The haf…
Dielectric relaxation and polaronic hopping in Mn-substituted LaSrNiO4 nickelates prepared by mechanical milling method
2016
Abstract The structures, microstructures and dielectric properties of LaSrNi1−xMnxO4 (x = 0, 0.1, 0.2, 0.3 and 0.5) ceramics synthetized by mechanical milling followed by heat treatment were studied. One single tetragonal phase was revealed in all compounds. Structural parameters were obtained by Rietveld refinement. The substitution of Ni ions by Mn produces a variation of the lattice parameters but no phase change is observed. The surface morphology and elemental analysis of these samples were respectively investigated by Scanning Electron Microscopy (SEM) and energy dispersive X-ray technique (EDS). Giant dielectric response was observed in these ceramics, and at least two relaxations we…
Magnetic and optical properties in degenerated transition metal and Ga co-substituted ZnO nanocrystals
2019
Abstract In order to study the influence of itinerant electrons on magnetic properties of transition metal substituted ZnO nanocrystals, nanopowders containing different amounts of Ga and fixed amounts of Fe, Ni and Mn ions were synthesized. The ions of different transition metals and Ga were successfully introduced into the ZnO structure using solvothermal synthesis method. X-ray diffraction, scanning electron microscopy, hard X-ray photoelectron spectroscopy and Rietveld refinement were used to characterize the synthesized nanocrystals. Optical measurements revealed that Ga substitution can change the light transmittance/absorption in the infrared part of the electromagnetic light spectru…
Alumina supported Pt(1%)/Ce0.6Zr0.4O2 monolith: Remarkable stabilization of ceria–zirconia solution towards CeAlO3 formation operated by Pt under red…
2009
Abstract A structured Pt(1 wt%)/ceria–zirconia/alumina catalyst and the metal-free ceria–zirconia/alumina were prepared, by dip-coating, over a cordierite monolithic support. XRD analyses and Rietveld refinements of the structural data demonstrate that in the Pt supported catalysts ceria–zirconia is present as a Ce 0.6 Zr 0.4 O 2 homogeneous solid solution and that the deposition over the cordierite doesn’t produce any structural modification. Moreover no Pt sintering occurs. By comparing the XRD patterns recorded on Pt/ceria–zirconia/alumina and ceria–zirconia/alumina after three redox cycles, it results that Pt, favouring the structural reorganization of the ceria–zirconia into one cubic …
Influence of sol counter-ions on the visible light induced photocatalytic behaviour of TiO2 nanoparticles
2014
Titanium dioxide (TiO2) nanoparticles are attracting increasing interest because of their superior photocatalytic and antibacterial properties. Here, aqueous titanium oxy-hydroxide sols were made, using a green synthesis method, from the controlled hydrolysis/peptisation of titanium isopropoxide. Three different mineral acids were used to peptise the sol (HNO3, HBr and HCl), and provide counter-ions. The influence of nitrate or halide sol counter-ions on size distributions of the starting sols were measured via photon correlation spectroscopy (PCS). Semi-quantitative phase composition analysis (QPA), on the gels thermally treated at 450 and 600 degrees C, was carried out via Rietveld refine…
Anomalous Valence Contrast of Metal Transition in Nanocrystalline Ferrite
2001
ChemInform Abstract: X-Ray Powder Structure Determination and Thermal Behavior of a New Modification of Pb(II) Selenite.
2010
The crystal structure of a new polymorphic form of lead(II) selenite (PbSeO3) was solved directly from conventional X-ray powder diffraction data. Direct methods and Rietveld refinement techniques were used for the structure determination. The compound crystallizes in the monoclinic space group P21/c (no. 14) with cell dimensions a = 9.1587(1) A, b = 8.0902(1) A, c = 8.7932(1) A, β = 103.032(1)°, and V = 634.76(2) A3. The final refinement gave background excluded Rp = 6.22%, Rwp = 8.81%, and RB = 2.16% by using 45 structural and 15 profile parameters with 10 atoms in an asymmetric unit. The three-dimensional structure consists of 9-coordinated lead atoms, which are linked by three bidentate…
Phase transitions and upconversion luminescence in oxyfluoride glass ceramics containing Ba4Gd3F17 nanocrystals
2017
This is the peer reviewed version of the following article: G. Krieke, A. Sarakovskis, R. Ignatans, J. Gabrusenoks "Phase transitions and upconversion luminescence in oxyfluoride glass ceramics containing Ba4Gd3F17 nanocrystals", Journal of the European Ceramic Society, 2017, 37 (4), which has been published in final form at https://www.sciencedirect.com/science/article/abs/pii/S0955221916306768 This article may be used for non-commercial purposes in accordance with Elsevier Terms and Conditions for Sharing and Self-Archiving.
Novel octahedral tilt system a + b + c + in (1 − x)Na0.5Bi0.5TiO3–xCdTiO3 solid solutions
2017
This work has been supported by National Research Program in the framework of project “Multifunctional Materials and composites, photonics and nanotechnology (IMIS2)”.
Palladium local structure of La1-xSrxCo1-yFey-0.03Pd0.03O3-δperovskites synthesized using a one pot citrate method
2014
Nanostructured La1-xSrxCo1-yFey-0.03Pd0.03O3-δ(LSCF-Pd) perovskites with fixed La-Sr composition (x = 0.4) and two different Fe contents (y = 0.2 and 0.8) were successfully synthesized using a one pot citrate method starting from nitrates of the metal cations. Pd-free La1-xSrxCo1-yFeyO3-δ(LSCF) systems were prepared for comparison. LSCF powders were calcined at 1300 °C and characterized by XRD and Rietveld refinement, EXAFS, XPS, TPR analyses. Promotion of La0.6Sr0.4Co0.8Fe0.2O3-δand of La0.6Sr0.4Co0.2Fe0.8O3-δby incorporation of palladium was evidenced by solving the local environment of Pd using EXAFS spectroscopy. XPS analyses, in agreement with TPR measurements, demonstrated an inc…