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...

The data presented in this paper are related to the research article entitled "Theoretical stability and materials synthesis of a chemically ordered MAX phase, Mo2ScAlC2, and its two-dimensional derivate Mo2ScC" (Meshkian et al. 2017) [1]. This paper describes theoretical phase stability calculations of the MAX phase alloy MoxSc3-xAlC2 (x=0, 1, 2, 3), including chemical disorder and out-of-plan...

In situ x-ray diffraction (XRD) coupled with molecular dynamics (MD) simulations have been used to quantify antisite defect trapping during crystallization. Rietveld refinement of the XRD data revealed a marked lattice distortion which involves an a axis expansion and a c axis contraction of the stable C11b phase. The observed lattice response is proportional in magnitude to the growth rate, su...

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...

A monophasic sample of Ag2MnSn3S8 has been prepared by heating stoichiometric amounts of the constituent metals and sulfur in evacuated silica tubes at 670° C. Structural analysis of Ag2MnSn3S8 using Rietveld refinement of powder X-ray diffraction data shows that it crystallizes in the Fd3%m space group with a — 10:6984ð2Þ A. Magnetization measurements in the temperature range 5300 K indicate p...

Successful interpretation of available geophysical data requires experimental and theoretical information on the elasticity of solids under physical conditions of Earth's interior. Because iron is considered as major component in Earth's core, elastic properties of iron at high pressures and temperatures are very important for modeling its composition and dynamics. We use in situ x-ray diffract...

Herein, the nitridophosphate Na3V(PO3)3N is synthesized by solid state method. X-ray diffraction (XRD) and Rietveld refinement confirm the cubic symmetry with P213 space group. The material exhibits very good thermal stability and high operating voltage of 4.0 V vs. Na/Na+ due to V3+/V4+ redox couple. In situ X-ray diffraction studies confirm the two-phase (de-)sodiation process to occur with v...

Titanium carbide-graphite (TiC/C) composite was successfully synthesized from Ti and C starting elemental powders using self-propagating high-temperature synthesis technique in an ultra-high plasma inert medium in a single stage. The TiC was exposed to a high-temperature inert medium to allow recrystallization. The product was then characterized using field emission scanning electron microscopy...

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...

A multiple-detector system for powder diffraction using synchrotron radiation was built and has been operated at the Photon Factory in Tsukuba since May, 1995. The optics design is based on a flat-specimen-reflection geometry using parallel-beam, and the intensity data are collected by using asymmetric 2@stepscanning at a fixed incident angle. The multiple-detector system makes it possible to c...