411 resultados para Raffinement de Rietveld


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Gallium-doped zinc oxide (ZnO:Ga 1, 2 3, 4 and 5 at%) samples were prepared in powder form by modifying the Pechini method. The formation of zinc gallate (ZnGa2O4) With the spinel crystal structure was observed even in ZnO:Ga 1 at% by X-ray diffraction. The presence of ZnGa2O4 in ZnO:Ga samples was also evidenced by luminescence spectroscopy through its blue emission at 430 nm, assigned to charge transfer between Ga3+ at regular octahedral symmetry and its surrounding O2- ions. The amount of ZnGa2O4 increases as the dopant concentration increases, as observed by the quantitative phase analysis by the Rietveld method. (C) 2006 Elsevier B.V. All rights reserved.

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Nanostructured KSr2Nb5O15 oxide was synthesized by the polymeric precursor method, a chemical synthesis route based on the Pechini's method. The X-ray diffraction (XRD) pattern of the calcined powder at 1150 degreesC were performed in the angular range 5 less than or equal to 20 less than or equal to 120degrees with a 0.02degrees step and a fixed counting time of 30 s. The XRD data were analyzed by the Rietveld refinements using the FullProf software. The results C showed a tetragonal system with the tetragonal tungsten bronze structure (TTB) type (a = 12.4585 (2) Angstrom and c = 3.9423 (6) Angstrom, V = 611,90 (2) Angstrom). In this work, the sites occupancy by the K+ and Sr2+ cations on the TTB type structure were determined. The thermal parameters (B) were analyzed. (C) 2004 Elsevier B.V. All rights reserved.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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SrBi2(Ta0.5Nb0.48W0.02)(2)O-9 powders (SBTN-W) were prepared by the polymeric precursor method. The influence of annealing temperature on the phase formation and specific surface area was evaluated. TG/DTA associated with X-ray diffraction (XRD) analyses showed the formation of perovskite phase at around 500-600 degrees C. An orthorhombic structure with A21am space group was identified by Rietveld refinement. BET analysis revealed that the specific surface area reduces with increasing thermal annealing. SEM micrographies showed grains in an almost-spherical morphology with the presence of agglomerates. (C) 2006 Elsevier B.V. All rights reserved.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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SrSnO3 was synthesized by the polymeric precursor method with elimination of carbon in oxygen atmosphere at 250 A degrees C for 24 h. The powder precursors were characterized by TG/DTA and high temperature X-ray diffraction (HTXRD). After calcination at 500, 600 and 700 A degrees C for 2 h, samples were evaluated by X-ray diffraction (XRD), infrared spectroscopy (IR) and Rietveld refinement of the XRD patterns for samples calcined at 900, 1,000 and 1,100 A degrees C. During thermal treatment of the powder precursor ester combustion was followed by carbonate decomposition and perovskite crystallization. No phase transition was observed as usually presented in literature for SrSnO3 that had only a rearrangement of SnO6 polyhedra.

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Results of crystal structure refinements and phase quantification for samples of Co-doped lanthanum chromites with nominal composition LaCr(1-x)Co(x)O(3), for x=0.00, 0.10, 0.20, and 0.30, prepared by combustion synthesis are presented. The resulting powders were characterized by scanning electron microscopy and X-ray diffraction (XRD). The XRD patterns were obtained with Cu K alpha radiation for non-doped lanthanum chromite sample and additionally with Cr K alpha radiation for Co-doped lanthanum chromites samples, in order to enhance the signal from scattering. Rietveld analysis of XRD data showed that the studied samples presented the lanthanum chromite with an orthorhombic structure (Pnma), except for the composition with x=0.30, in which the space group was found to be R (3) over barc. (C) 2008 International Centre for Diffraction Data.