Rietveld refinement
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Recent papers in Rietveld refinement
A previously unknown leucite-related structure has been determined for synthetic CszCdSisO~2. NMR spectroscopy shows that there are five distinct tetrahedral sites (T-sites) occupied by Si and one T-site occupied by Cd in the framework... more
It is well known that the composition of ferromagnetic shape memory Ni-Mn-Ga Heusler alloys determines both temperature of martensitic transformations and the structure type of the product phase. In the present work we focused our... more
ABSTFtACT The structure of lanthanum oxysulfate (La0)2S04 was studied with neutron, electron, and X-ray diffraction using the Rietveld refinement method. The unit cell is determined to be monoclinic (a = 14.349(l), b = 4.2852(5), c =... more
We report the synthesis of superparamagnetic nanoparticles of iron oxide in magnetite phase with diameters of approximately 15 nm. Nanoparticles of magnetite were synthesized by forced hydrolysis method, controlling the oxidation with a... more
The orthorhombic to monoclinic phase transition in an high-titanium-loaded Ti-silicalite sample (2.6 wt.% in TiO 2 ) has been studied by means of temperature-dependent high resolution powder X-ray diraction data collected at the ESRF BM16... more
Rietveld refinement was performed for two samples prepared from natural pyrite (a polymorph of iron disulphide or iron persulphide, FeS 2 ) single crystals originating from Navajun (Spain) and from Ural Mts. (Russia). The present... more
Texture correction of isostatically pressed molybdite powders has been carried out using the D1A high-resolution fixed wavelength 25-detector powder diffractometer at the Institut Laue-Langevin. All of the samples were spun during the... more
Subsolidus phase relationships in the In2O3–WO3 system at 800–1400°C were investigated using X-ray diffraction. Two binary-oxide phases—In6WO12 and In2(WO4)3—were found to be stable over the range 800–1200°C. Heating the binary-oxide... more
The crystal and magnetic structure of RCrO 4 oxides (R=Nd, Er and Tm) has been studied by owder neutron diffraction. These compounds crystallize with the zircon-type structure, showing tetragonal symmetry, space group I4 1 =amd: In the... more
The orthorhombic to monoclinic phase transition in an high-titanium-loaded Ti-silicalite sample (2.6 wt.% in TiO 2 ) has been studied by means of temperature-dependent high resolution powder X-ray diraction data collected at the ESRF BM16... more
The influence of ionic substituents in calcium phosphates intended for bone and tooth replacement biomedical applications is an important research topic, owing to the essential roles played by trace elements in biological processes. The... more
Multiferroic bismuth ferrite, BiFeO 3 , was synthesized via conventional solid-state reaction method using Bi 2 O 3 , Fe 2 O 3 as starting materials. Effects of Bi 2 O 3 /Fe 2 O 3 molar ratio and calcination temperature on the phase... more
The synthesis and crystal structure of Ce-doped CaMnO 3 perovskite has been investigated. Two powders with nominal compositions Ca 0.5 Ce 0.5 MnO 3 and CaMn 0.5 Ce 0.5 O 3 were prepared using a modified glycine/nitrate procedure. The... more
Axel F. Cronstedt (1722-1765), famous Swedish mineralogist, was the first scientist to describe, 250 years ago, the distinctive property of zeolites, i.e., the unique frothing characteristics when heated in a blow-pipe flame. Cronstedt... more
Within a development project for the characterization of sputtered thin films for phase change optical disks, amorphous and crystalline phases of Ge2Sb2Te5 (GST) and AgInSbTe (AIST) phase change materials have been investigated. Sputtered... more
Using the Rietveld refinement, we analyze the structural evolution under thermal treatment of silica xerogel samples prepared by the sol–gel method with molar ratio (R) of water to TEOS of R = 5 and R = 11.66. We refine the structure of... more
Cite this article as: Shidaling Matteppanavar, Basavaraj Angadi, Sudhindra Rayaprol, Low Temperature Magnetic Studies on PbFe 0.5 Nb 0.5 O 3 Multiferroic, Physica B, http://dx.
"Rietveld Refinement for Beginners Ver x.doc" This is step by step procedure to perform Rietveld Refinement for first time users. The purpose is to help research scholars, scientists, students(UG/PG) to learn how to analyze x-ray... more
The microstructure of Li 2 PtO 3 , isostructural with Li 2 MnO 3 , and -Ni(OH) 2 is analyzed from powder diffraction data using two approaches. Firstly, the recently developed FAULTS program (a modification of the DIFFaX program to allow... more
X-ray diffraction (XRD) is a powerful technique for the study of crystalline materials. The technique of Rietveld refinement now enables the amounts of different phases in anhydrous cementitious materials to be determined to a good degree... more
Two different binders composed of Portland cement, calcium sulphoaluminate clinker and calcium sulphate were studied from early hydration to 28 days, one containing gypsum and one containing anhydrite at equimolar CaSO 4 amount. Sodium... more
Rietveld refinement of powder diffraction data is a very popular and powerful technique. Several effects in the diffraction patterns, such as anisotropic peak broadening, preferred orientation or extinction, are properly taken into... more
The identity of the pyrochlore phase seen during the synthesis of ferroelectric Bi 4Àx Ln x Ti 3 O 12 Aurivillius oxides is shown to be Bi 2/3 Ln 4/3 Ti 2 O 7 . This pyrochlore is only stable for Ln 3+ ¼ Sm 3+ or smaller. For larger... more
Occupation of Fe in ZnO structure X-ray diffraction Mössbauer spectroscopy UV-Vis diffuse reflectance spectroscopy A B S T R A C T A series of Fe-doped ZnO (Zn 1-x Fe x O, x = 0, 0.01, 0.03, 0.05, 0.07 and 0.10) samples were synthesized... more
O 3 multilayers were fabricated by pulsed-laser deposition and studied by structural, magnetic, and electric characterization techniques. Transmission electron microscopy and x-ray diffractometry proved the excellent structural quality of... more
In this work, we report the Rietveld refinement, microstructure, conductivity and impedance properties of Ba[Zr0.25Ti0.75]O3 ceramic synthesized by solid state reaction. This ceramic was characterized by X-ray diffraction, Rietveld... more
A detailed investigation of the phase relations in the Ti-Si-B system involving as-cast and heat-treated samples that were characterized via X-ray diffraction (XRD), Scanning Electron Microscopy (SEM) and Wavelength Dispersive... more
Nanocrystalline NaNbO 3 and NaTaO 3 have been synthesized by the reverse micellar technique for the first time. The particle size of NaNbO 3 was found to be 18 nm while that of NaTaO 3 was found to be 40 nm (much smaller size than most of... more
The relationship between yttria concentration and the unit cell parameters in partially and fully stabilized zirconia has been reassessed, motivated by the need to improve the accuracy of phase analysis upon decomposition of t'-based... more
Hydrogen production is an immediate need to replace the fossil fuels to keep environmental balance, and water splitting is an effective solution in presence of catalyst through oxygen evolution reaction (OER) and hydrogen evolution... more
The electrocatalytic oxygen evolution reaction (OER) on iron based perovskites with composition La1−xCaxFeO3−δ (0.0 ≤ x ≤ 1.0) in alkaline solution has been investigated. The perovskite samples were synthesized by combustion method.... more
Bulk samples of spinel ferrites with the compositional formula, Co 1 À x Ni x Fe 2 O 4 (x ¼0.0, 0.5, 1.0) were synthesized by a solid-state reaction route to discuss doping effect on the structural, vibrational and dielectric properties.... more
The correlation between the crystal structure and luminescent properties of Eu 3 þ -doped metal tungstate phosphors for white LEDs was investigated. Red-emitting A 4À 3x (WO 4 ) 2 :Eu x 3 þ (A¼ Li, Na, K) and B (4À 3x)/2 (WO 4 ) 2 :Eu x 3... more
Phase transformation in cement during hydration is studied by XRD, FTIR and Mössbauer. The hydration process was monitored by self consistent analysis of the XRD results. Alite and belite phases control the early setting time of cement.... more
Iron oxide nano-particles are synthesized from aqueous iron (III) nitrate solution through citric acid and ethy-lene glycol assisted modified Pechini route. Synthesized particles are calcined at 400 and 600 C in air to achieve better... more
A directional freezing method was used to obtain In 2 Se 3 crystals. Rietveld refinement of the diffraction data was performed. The Raman spectra of the ␣-phase of In 2 Se 3 were measured with polarized light in different configurations... more
CaTiO 3 powders were synthesized using both a polymeric precursor method (CT ref ) and a microwave-assisted hydrothermal (CT HTMW ) method in order to compare the chemical and physical properties of the perovskite-based material as a... more
Structure refinement of LaVO 3 was carried out using the whole pattern fitting or Rietveld method, which is a powerful technique for extracting structural information from powder diffraction data. The crystal structure refinement was done... more