The crystal structures of triethyl-1,3,5-triazine-2,4,6-tricarboxylate (I), triethyl-1,3,5-benzenetricarboxylate (II) and tris-2-hydroxyethyl isocyanurate (III) have been determined from conventional laboratory X-ray powder diffraction data using the differential evolution structure solution technique. The determination of these structures presented an unexpectedly wide variation in levels of d...

A Bayesian inference method for refining crystallographic structures is presented. The distribution of model parameters is stochastically sampled using Markov chain Monte Carlo. Posterior probability distributions are constructed for all model parameters to properly quantify uncertainty by appropriately modeling the heteroskedasticity and correlation of the error structure. The proposed method ...

The crystalline structures of the superionic high-temperature copper selenides Cu(2-x)Se (0 < x < 0.25) produced using mechanical alloying were investigated using X-ray diffraction (XRD). The measured XRD patterns showed the presence of peaks corresponding to the crystalline superionic high-temperature alpha-Cu(2)Se phase in the as-milled sample, and its structural data were determined by means...

We optimized synthesis conditions of blue-emitting CaMgSi2O6:Eu 2+ (CMS:Eu) with conventional solid-state reaction and successfully determined structure parameters by Rietveld refinement method with neutron powder diffraction data. The final weighted R-factor Rwp was 6.42% and the goodness-of-fit indicator S ( Rwp/Re) was 1.34. The refined lattice parameters of CMS:Eu were a 9.7472(3) Å, b 8.93...

X-ray powder diffractometry/Rietveld refinement was employed to estimate the purity of several chrysotile powders for calibrating standards. α-Corundum powder was mixed into each chrysotile sample as an internal standard. X-ray diffractometry was performed on these mixtures, and the mass fractions of amorphous and impurity phase content were calculated using Rietveld refinement. The chrysotile ...

ADVERTISEMENT RETURN TO ISSUEEditorialNEXTThe Rietveld Refinement Method: Half of a Century AnniversaryTomče Runčevski*Tomče Runčevski*Email: [email protected]More by Tomče Runčevskihttps://orcid.org/0000-0003-0886-8464 and Craig M. Brown*Craig Brown*Email Brownhttps://orcid.org/0000-0002-9637-9355Cite this: Cryst. Growth Des. 2021, 21, 9, 4821–4822Publication Date (Web):August 18, 2021Publicat...