The microstructure of gold catalysts supported on rutile was obtained by Rietveld refinement. Three-dimensional images of the crystallites were generated in real space, as well as 3-D images of the microstrain distribution in reciprocal space. These images were used to analyze the effect of the different parameters of the refinement models on the interpretation of the microstructure of the samp...

-A structure refinement of kaolinite made using the Rietveld neutron profile refinement technique has given non-hydrogen atom positions which were not significantly different from those given by B. B. Zvyagin in i960. All of the hydrogen atoms have been located; the three inner-surface hydrogen atoms are involved in interlayer hydrogen bonds with lengths of 2.95(4), 2.95(4), and 3.06(4) ]k with...

SrRietveld is a highly automated software toolkit for Rietveld refinement. Compared to traditional refinement programs, it is more efficient to use and easier to learn. It is designed for modern high-throughput diffractometers and is capable of processing large numbers of data sets with minimal effort. The software currently uses conventional Rietveld refinement engines, automating GSAS and Ful...

ReO2 presents two crystalline variants, with monoclinic and orthorhombic structures. The former is metastable and irreversibly transforms to an orthorhombic structure above 460oC. The structure of the latter was determined from studies on monocrystalline samples, whereas for the monoclinic variant there are no single crystals available so far. It was found only one monoclinic variant and the st...

Since its inception over 35 years ago, Rietveld refinement (Rietveld, 1969) has come a long way. In the beginning, the aim was to carry out crystal-structure refinement using neutron diffraction. As its primary purpose was refinement of the perfect crystal structures of polycrystalline samples, there was a need to introduce corrections to peak intensities and positions, as calculated for a perf...

Binary oxides of Mg and Ti were prepared by the sol-gel technique in various Mg/Ti atomic ratios, r. Metastable phases, produced between 873 and 973 K from xerogels with Mg/Ti atomic ratios in the range ~1.1 < r ≤ 2, were studied by XRD and ND. XRD analysis showed crystal structures similar to that of Mg2TiO4 (qandilite), an inverse spinel of cubic structure. The composition range where this oc...