Polycrystalline LnAg(W0 4 ) (Mo0 4 ) powders, with Ln = La to Lu and Y, have been obtained by ceramic method. Rietveld refinement for all compounds reveals that they present tetragonal symmetry, space group 741/a (No. 88), where the Ln/Ag ions are located in the 4a atomic positions, since the W/Mo are randomly distributed into 4b crystal sites. In these compounds, a and b lattice parameters tak...

In this work, LiCoPO4 nanoparticles were synthesized by supercritical fluid method using cobalt nitrate hexahydrate (Co(NO3)2 6H2O) and cobalt acetate tetrahydrate (C4H6CoO4 4H2O) as starting materials. The effect of starting materials on particle morphology, size, and the crystalline phase were investigated. The as-synthesized samples were systematically characterized by XRD, TEM, STEM, EDS, B...

The crystal structure of (Li0.5K0.5)2C03 was determined by neutron powder diffraction. A final weighted R-factor of 4.54% was obtained for the refinement of 2373 reflections by the Rietveld method from a sample synthesized using 7Li2CO3 and K2CO3 (99.9% pure). Slight distortion of the CO$units in the monoclinic cell was observed; the O( 1)-C-0(2) angle and CO(3) length are larger than those for...

In this research, formation of nanocrystalline Ni3Al intermetallic from Ni and Al elemental powders by mechanical alloying (MA) process and its characterization was investigated. Therefore, the evolutions in microstructure such as phase transformation, oxidation in air and introduction of Fe impurity from milling media after MA were evaluated using XRD, Rietveld refinement, TEM, SEM, EDS and IC...

The discovery of ligands that bind specifically to a targeted protein benefits from the development of generic assays for high-throughput screening of a library of chemicals. Protein powder diffraction (PPD) has been proposed as a potential method for use as a structure-based assay for high-throughput screening applications. Building on this effort, powder samples of bound/unbound states of sol...

A procedure of the structure factor simulation from a continuous electron density representation in combination with the full-profile structure refinement (Rietveld technique) was developed and applied to structural characterization of pure siliceous mesoporous mesophase materials C16SiO2-MMM of the MCM-41 type. An analytical function was exploited to simulate the continuous electron density. T...