نتایج جستجو برای: rietveld refinement method
تعداد نتایج: 1655495 فیلتر نتایج به سال:
Valencianite has been described as a variety of K-feldspar (adularia) from La Valenciana mine, Guanajuato, Mexico, which three samples were used for this study. We present new major and trace element analysis, X-ray powder diffraction with Rietveld refinement, single-crystal 40Ar/39Ar ages classical mineral. A detailed review works on feldspars relevant papers adularia shows that the structure ...
heat treated In2O3 nanowalls using FULLPROF. [1] A Thompson-Cox-Hastings pseudo-Voigt profile function was used to simulate the In2O3 as well as the SnO2 phase resulting from the FTO substrate. Preferred orientation has been taken into account in all refinements. The final Rietveld refinement plots are shown in Figure 2c-d in the main text. The FTO substrate in both patterns showed a strong pre...
Photocatalytic conversion of solar energy into chemical energy has attracted considerable interest for several decades. One compound already reported as a visible-light-active photocatalyst for water splitting is BiYWO6, a member of the Bi2-x Y x WO6 family of compounds. The structural and optical properties of other members of this family have not been reported to date. In this work, we synthe...
Two polymorphs of LaTaTiO6, i.e. monoclinic and orthorhombic, were synthesized by solid-state reaction technique. Both were found to be isostructural with analogous niobium compounds which were used as structural models. Structural characterization was performed on X-ray powder data by Rietveld refinement procedure which resulted in final Rwp values of 7.01 and 7.52% for orthorhombic and monocl...
When solving the crystal structure of complex molecules from powder data, accurately locating the global minimum can be challenging, particularly where the number of internal degrees of freedom is large. The program Mogul provides a convenient means to access typical torsion angle ranges for fragments related to the molecule of interest. The impact that the application of modal torsion angle co...
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