Open AccessJournal Article
The Rietveld method
TLDR
In this paper, the early days of the Rietveld method are described, along with a retrospective view of its application in various areas of physics, such as X-ray and neutron analysis.Abstract:
Introduction to the Rietveld Method 1. The early days: a retrospective view 2. Mathematical aspects of Rietveld refinement 3. The flow of radiation in a polycrystalline material 4. Data collection strategies: fitting the experiment to the need 5. Background modelling in Rietveld analysis 6. Analytical profile fitting of X-ray powder diffraction profiles in Rietveld analysis 7. Crystal imperfection broadening and peak shape in the Rietveld method 8. Bragg reflection profile shape in X-ray powder diffraction patterns 9. Restraints and constraints in Rietveld refinement 10. Rietveld refinement with time-of-flight powder diffraction data from pulsed neutron sources 11. Combined X-ray and neutron Rietveld refinement 12. Rietveld analysis programs Rietan and Premos and special applications 13. Position - constrained and unconstrained powder-pattern-decomposition methods 14. Ab initio structure solutions with powder diffraction dataread more
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Competing intermolecular interactions in the high-temperature solid phases of even saturated carboxylic acids (C10H19O2H to C20H39O2H).
Evelyn Moreno-Calvo,Gabin Gbabode,Raquel Cordobilla,Teresa Calvet,Miquel Àngel Cuevas-Diarte,Philippe Négrier,Denise Mondieig +6 more
TL;DR: The crystal structures of the six compounds were determined from powder X-ray diffraction data following direct space methods and refined by the Rietveld method combined with force field geometry optimization to obtain structures that are chemically sensible and in close agreement with the powder pattern.
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Use of Bayesian Inference in Crystallographic Structure Refinement via Full Diffraction Profile Analysis
Chris M. Fancher,Zhen Han,Igor Levin,Katharine Page,Brian J. Reich,Ralph C. Smith,Alyson G. Wilson,Jacob L. Jones +7 more
TL;DR: A Bayesian inference method for refining crystallographic structures is presented, which better estimates the true uncertainties in the model as compared to the Rietveld method.
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Characterization of Cu–Ni alloy electrodeposition and synthesis of nanoparticles by pulsed sonoelectrochemistry
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Effect of calcination temperature on CrOx–Y2O3 catalysts for fluorination of 2-chloro-1,1,1-trifluoroethane to 1,1,1,2-tetrafluoroethane
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Powder X-ray diffraction and heterogeneous catalysis
TL;DR: A short review of powder X-ray diffraction to the study of heterogeneous catalysis is described in this article, where the authors describe the application of in-situ measurements, the determination of catalyst stoichiometry in-Situ, determination of coke location in ZSM-5 catalysts, line profile analysis, Debye Functional Analysis and combined Xray absorption and diffraction are given.