Results 1 to 10 of about 10,750 (159)
Rietveld refinement of the langbeinite-type phosphate K2Ni0.5Hf1.5(PO4)3 [PDF]
Acta Crystallographica Section E: Crystallographic Communications, 2020 Polycrystalline potassium nickel(II) hafnium(IV) tris(orthophosphate), a langbeinite-type phosphate, was synthesized by a solid-state method. The three-dimensional framework of the title compound is built up from two types of [MO6] octahedra [the M sites
Liang Zhou +4 more
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Rietveld refinement of Y2GeO5 [PDF]
Acta Crystallographica Section E, 2009 Y2GeO5 (yttrium germanium pentaoxide) was synthesized by solid-state reaction at 1443 K. The arrangement, which has monoclinic symmetry, is isostructural with Dy2GeO5 and presents two independent sites for the Y atoms.
Lauro Bucio +1 more
doaj +3 more sources
Crystal structure of Na2HfSi2O7 by Rietveld refinement [PDF]
Acta Crystallographica Section E: Crystallographic Communications, 2016 The structure of triclinic disodium hafnium disilicate, Na2HfSi2O7, has been determined by laboratory powder X-ray diffraction and refined by the Rietveld refinement.
Nicolas Massoni, Pierrick Chevreux
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Parametric Rietveld refinement [PDF]
Journal of Applied Crystallography, 2007 In this paper the method of parametric Rietveld refinement is described, in which an ensemble of diffraction data collected as a function of time, temperature, pressure or any other variable are fitted to a single evolving structural model. Parametric refinement offers a number of potential benefits over independent or sequential analysis.
Graham Stinton +2 more
exaly +5 more sources
A simple solution to the Rietveld refinement recipe problem. [PDF]
J Appl CrystallogrRietveld refinements are widely used for many purposes in the physical sciences. Conducting a Rietveld refinement typically requires expert input because correct results may require that parameters be added to the fit in the proper order. This order will depend on the nature of the data and the initial parameter values.
Toby BH.
europepmc +3 more sources
Parallel processing for Rietveld refinement [PDF]
Journal of Applied Crystallography, 2002 A method for speeding Rietveld refinements using parallel computing is presented. The method can be applied to most, if not all, Rietveld refinement programs. An example implementation for the Los AlamosGeneral Structure Analysis System(GSAS) package is described.
Brian Toby, Todd Zeitler
exaly +2 more sources
Rietveld refinement of the langbeinite-type mixed-metal phosphate K2Ni0.5Zr1.5(PO4)3 [PDF]
Acta Crystallographica Section E, 2014 Dipotassium [nickel(II) zirconium(IV)] tris(orthophosphate) was prepared from a self-flux in the system K2O–P2O5–NiO–K2ZrF6. The title compound belongs to the langbeinite family and is built up from two [MO6] octahedra [M = Ni:Zr with mixed occupancy in ...
Igor V. Zatovsky
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Rietveld refinement of the crystal structures of Rb2XSi5O12 (X = Ni, Mn) [PDF]
Acta Crystallographica Section E: Crystallographic Communications, 2016 The synthetic leucite silicate framework mineral analogues Rb2XSi5O12 {X = Ni [dirubidium nickel(II) pentasilicate] and Mn [dirubidium manganese(II) pentasilicate]} have been prepared by high-temperature solid-state synthesis.
Anthony M. T. Bell +1 more
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Reinvestigation of the crystal structure of Ca2Ce8(SiO4)6O2 apatite by Rietveld refinement [PDF]
Acta Crystallographica Section E: Crystallographic Communications, 2018 Ca2Ln8(SiO4)6O2 apatites with Ln = La, Ce, Pr, Nd, Sm, Eu, Gd and Tb crystallize in space group P63/m. The crystal structure of apatite-type Ca2Ce8(SiO4)6O2 [dicalcium octacerium hexakis(silicate) dioxide], which has been synthesized by calcination, was ...
Nicolas Massoni +2 more
doaj +2 more sources
Rietveld refinement guidelines [PDF]
Journal of Applied Crystallography, 1999 A set of general guidelines for structure refinement using the Rietveld (whole-profile) method has been formulated by the International Union of Crystallography Commission on Powder Diffraction. The practical rather than the theoretical aspects of each step in a typical Rietveld refinement are discussed with a view to guiding newcomers in the field ...
Scardi, Paolo +4 more
openaire +2 more sources