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Full-profile search-match by the Rietveld method. [PDF]

open access: yesJ Appl Crystallogr, 2019
A new search–match procedure has been developed and tested which, in contrast to previously existing methods, does not use a set of lines identified from a diffraction pattern, but an optimized Rietveld fitting on the raw data. Modern computers with multicore processors allow the routine to be fast enough to perform the entire search in a reasonable ...
Lutterotti L   +4 more
europepmc   +5 more sources

Analysis of Rietveld Method Application for Gyrolite Crystal Structure Refinement

open access: yesMedžiagotyra, 2012
The several simulated X-ray diffraction patterns for calcium silicate hydrate – gyrolite were calculated with GSAS program using the structural model of natural mineral gyrolite and profile parameters values determined from refining crystal structure of ...
Arūnas BALTUŠNIKAS   +5 more
doaj   +2 more sources

Synthesis of hydroxyapatite doped with single and compound dopants and study upon the effect of crystal phase on its thermoluminescence response irradiated by gamma rays [PDF]

open access: yesمجله علوم و فنون هسته‌ای, 2023
In this research work, hydroxyapatite samples doped with cerium, gadolinium, and a combination of these two dopants were synthesized through the hydrothermal method.
P. Taghipour Niar   +3 more
doaj   +1 more source

Oxide layer characterization by XRD and Rietveld refinements in maraging steel 300 aged in steam atmosphere

open access: yesBrazilian Journal of Radiation Sciences, 2021
Maraging steels are martensitic steels hardened by precipitation of intermetallic compounds in thermal aging, with good machining properties and high strength, fracture toughness and corrosion resistance, being used in aircraft parts and rocket motor ...
Vanessa Sanches Pereira da Silva   +4 more
doaj   +1 more source

Synthesis and Crystal Structure of the Ordered Vacancy Compound Cu3In5Se9

open access: yesOrbital: The Electronic Journal of Chemistry, 2021
This work focuses on the preparation and structural characterization of the semiconductor Cu3In5Se9, an important member of ordered vacancy compounds family, belonging to the semiconductor system I3-III5--VI9, where denotes the cation vacancy which is ...
Gerzon E. Delgado   +4 more
doaj   +1 more source

Accuracy and Error Sources of the Rietveld Full Pattern Fitting Method in Quantitative Analysis of Illite Ores

open access: yesYankuang ceshi, 2022
BACKGROUND Illite is an important mineral resource. It is of great theoretical and practical significance to accurately obtain the mineral composition and content of illite ores. The Rietveld full pattern fitting method uses the whole diffraction pattern
CHEN Aiqing   +5 more
doaj   +1 more source

Quantitative Phase Analysis by X-ray Diffraction—Doping Methods and Applications

open access: yesCrystals, 2020
X-ray powder diffraction is an ideal technique for the quantitative analysis of a multiphase sample. The intensities of diffraction lines of a phase in a multiphase sample are proportional to the phase fraction and the quantitative analysis can be ...
Stanko Popović
doaj   +1 more source

Structural Analysis of Interstratified Illite-Smectite by the Rietveld Method

open access: yesCrystals, 2021
Rietveld method is a powerful tool in obtaining structural information of clay minerals by using of X-ray diffraction (XRD) patterns. However, the interstratified illite-smectites (I-S) show various stacking defects preventing the direct application of ...
Xiaoli Wang, Hejing Wang
doaj   +1 more source

The Rietveld Refinement in the EXPO Software: A Powerful Tool at the End of the Elaborate Crystal Structure Solution Pathway

open access: yesCrystals, 2018
The Rietveld method is the most reliable and powerful tool for refining crystal structure when powder diffraction data are available. It requires that the structure model to be adjusted is as close as possible to the true structure.
Angela Altomare   +6 more
doaj   +1 more source

The Role of Base Solvent Variant to Structure and Crystal Size Titanium Dioxide (TiO2) by Hydrothermal Method

open access: yesIndonesian Journal of Chemistry, 2017
Photoactivity of titanium dioxide (TiO2) can be improved by turning it into nanoparticles. Synthesis of TiO2 nanoparticles can be done by using hydrothermal method.
Mohammad Rofik Usman   +2 more
doaj   +1 more source

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