Rietveld refinement methodology for neutron data
Cubic ZrW1 75Mo0 25O8 from a Rietveld refinement based on neutron powder diffraction data
... Key indicators: powder neutron study; T = 298 K; mean (Zr–O) = 0.003 A ˚; disorder in main residue; R factor = 0.032; wR factor = 0.044; data-to-parameter ratio = 32.6. The solid solution in the system ...
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A Rietveld refinement using neutron powder diffraction data of a fully deuterated topaz, Al2SiO4(OD)2
... However, owing to the weak X-ray scattering power of hydrogen, the H-atom positions could not be determined with a high degree of accuracy. Neutron diffraction, on the other hand, is well suited to this ...
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Rietveld refinement of a natural cobaltian mansfieldite from synchrotron data
... diffraction data yielded, in the best case, a not satisfactorily R F index of ...X-ray data collection. S3. Refinement Structural data were refined employing the Rietveld method and ...
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Rietveld refinement of Sr5(AsO4)3Cl from high resolution synchrotron data
... Special details Experimental. Absorption correction fixed at zero, all attempts to refine this term in GSAS were unsuccessful so this term was fixed at zero. CELREF was used for initial lattice parameter determinations ...
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Rietveld refinement of Ba5(AsO4)3Cl from high resolution synchrotron data
... diffraction data collection using station ...these data were summed and normalized to account for decay of the synchrotron beam with ...diffraction data (Kreidler & Hummel, ...
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Rietveld refinement of Sr5(AsO4)3Cl from high resolution synchrotron data
... The As—O distances are characteristic for tetrahedral AsO 4 units. The O—As—O angles deviate significantly from the ideal tetrahedral angle of 109.5°, indicating a strong distortion. The refined lattice parameters for Sr ...
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Rietveld refinement of Ba5(AsO4)3Cl from high resolution synchrotron data
... Fig. 1 shows the Rietveld difference plot for the present refinement. The crystal structure of Ba 5 (AsO 4 ) 3 Cl, showing the isolated tetrahedral AsO 4 3- anions separated by Ba 2+ cations and Cl - ...
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Rietveld refinement of AgCa10(PO4)7 from X ray powder data
... S3. Refinement Structure refinement was performed using KCa 10 (PO 4 ) 7 (Sandström & Boström, 2006) as a starting ...profile refinement Pearson VII function was ...final Rietveld ...
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Rietveld refinement of the crystal structures of Rb2XSi5O12 (X = Ni, Mn)
... of Rietveld refinements, using X-ray powder diffraction data collected using Cu K X-rays, show that the title compounds crystallize in the space group Pbca and adopt the cation-ordered structure of Cs 2 ...
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Rietveld refinement of the crystal structures of Rb2X Si5O12 (X = Ni, Mn)
... of Rietveld refinements, using X-ray powder diffraction data collected using Cu K X-rays, show that the title compounds crystallize in the space group Pbca and adopt the cation-ordered structure of Cs 2 CdSi ...
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Quantitative Phase Analysis Based on Rietveld Structure Refinement for Carbonate Rocks
... the refinement or fit- ting with best R exp , R wp and GOF, the optimizing values of cell mass, cell volume, crystal linear absorption coef- ficient and crystal density obtained by using the Le bail and Pawley ...
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Reinvestigation of the crystal structure of Ca2Ce8(SiO4)6O2 apatite by Rietveld refinement
... 5. Refinement Details of the data collection and structure refinement are summarized in Table 3 and Fig. 3. The occupancies of the Si and O atoms were fixed to unity in agreement with the general ...
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Rietveld refinement of whitlockite related K0 8Ca9 8Fe0 2(PO4)7
... Experimental (dots), calculated (red curve) and difference (blue curve) data. for 2 θ range 9-72°[r] ...
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Eu1 8La0 2BaZnO5: a Rietveld refinement using X ray powder diffraction
... The families of oxides with stoichiometry RE 2 BaMO 5 (where RE is a trivalent rare earth, and M is Co 2+ , Ni 2+ , Cu 2+ , Zn 2+ , Pd 2+ or Pt 2+ )are known as the green phases in studies of Y± Ba±Cu±O superconductor ...
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Rietveld refinement of the langbeinite type mixed metal phosphate K2Ni0 5Zr1 5(PO4)3
... during Rietveld refinement as a starting model. For profile refinement a pseudo-Voigt function with axial divergence asymmetry (Thompson et ...
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Cation Distribution of Zn0.5Me0.5Fe2O4 (Me = Co, Ni And Cu) on the Basis of Rietveld Refinement and Magnetization Measurement
... XRD data similarly magnetic measurements were carried out by using VSM at room ...XRD data were refined through Rietveld analysis with the help of FullProf ...
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Towards a methodology for bulk sample neutron activation analysis
... based on tabulated data or graphs. This method is a direct and easy method to perform large sample neutron activation analysis without complex calculations. In addition, for the user who does not have good ...
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The Rietveld Method: Theory and Applications
... the data is rarely a limiting factor in the precision of the structural ...of Rietveld method is increasing day by ...Structure refinement in 1969 has now smeared out to a host of ...brief ...
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PEGASOS & PEGASOS refinement project – goals, methodology, advances and results of a psha
... all data and a replacement of all site amplification functions from rock to ...input data for the site amplification were consistent with the final GMPEs (including consideration of the Vs-Kappa ...
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Synthesis, Rietveld Refinement and DFT Studies of Bis(4,5 dihydro 1H benzo[g]indazole)silver(I) Hexafluorophosphate Complex Salt
... 1 HNMR spectroscopies, Rietveld refinement from powder diffraction data and DFT studies. The salt crystallizes in the triclinic space group P-1 with the pa- rameters: a = 7.776 Å, b = 8.676 Å, c = ...
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