نتایج جستجو برای: rietveld refining

تعداد نتایج: 12706  

Journal: :Physical chemistry chemical physics : PCCP 2016
Liv-Elisif Kalland Stefan T Norberg Jakob Kyrklund Stephen Hull Sten G Eriksson Truls Norby Chris E Mohn Christopher S Knee

This work presents a structural investigation of La2-xNdxCe2O7 (x = 0.0, 0.5, 1.0, 1.5, 2.0) using X-ray powder diffraction and total scattering neutron powder diffraction, analysed using Rietveld and the reverse Monte Carlo method (RMC). Ab initio molecular dynamics (MD) modelling is also performed for further investigations of the local order. The main intensities in the neutron diffraction d...

1999
W. Dmowski M. K. Akbas P. K. Davies T. Egami

The atomic structure of Pb(Sc1/2Ta1/2)O3 (PST), and related Pb(A,B)O3 type mixed perovskites was studied by diffraction using synchrotron X-rays and pulsed neutrons. The Rietveld refinement was carried out to determine the average, long-range crystallographic structure, while the pair-density function (PDF) analysis was used in studying the local atomic structure. The compounds examined, relaxo...

2005
Caroline Féry Hubert Truckenbrodt

This paper discusses central aspects of the effects of hierarchical structure on tonal scaling in intonation. The core results of a number of phonetic studies on this topic, by Ladd, by van den Berg, Gussenhoven and Rietveld, as well as experimental results of our own, are reviewed. We review the suggestions of this earlier work and argue for an addition to the theory. The principle The deeper ...

1999
A. Aguilar M. C. Diego E. Sanchez-Lancis

Previous studies have researched the possibility of studying the speaker idiosyncrasies on phonetic regularities, by means of temporal parameters like the segmental duration. In Spain we have an official language for all State, Castilian or Spanish language, and various community languages; Catalan language is the language of Catalonia, but people of Catalonia is bilingual. Besides, people of d...

2006
K. Papadopoulos T. Wallace G. M. Milikh W. Peter M. McCarrick C. L. Chang

[1] We want to thank Rietveld and Stubbe [2006] (hereinafter referred to as RS) for providing us with the opportunity to clarify the issues addressed by our work, including the differences in experimental results and theoretical interpretation with the early pioneering work of Rietveld et al. [1986, 1987, 1989] and Rietveld and Stubbe [1987]. We first apologize for the inadvertent omission of R...

Journal: :Acta Crystallographica Section E Crystallographic Communications 2016

2015
Jacco van de Streek

With only a 2.6 Å resolution laboratory powder diffraction pattern of the θ phase of Pigment Yellow 181 (P.Y. 181) available, crystal-structure solution and Rietveld refinement proved challenging; especially when the crystal structure was shown to be a triclinic dimethylsulfoxide N-methyl-2-pyrrolidone (1:1:1) solvate. The crystal structure, which in principle has 28 possible degrees of freedom...

2004
G. Kimmel J. W. Richardson R. Xu P. Ari-Gur E. Goncharov J. Zabicky

Binary oxides of Mg and Ti were prepared by the sol-gel technique in various Mg/Ti atomic ratios, r. Metastable phases, produced between 873 and 973 K from xerogels with Mg/Ti atomic ratios in the range ~1.1 < r ≤ 2, were studied by XRD and ND. XRD analysis showed crystal structures similar to that of Mg2TiO4 (qandilite), an inverse spinel of cubic structure. The composition range where this oc...

2012
J. Ibáñez J. J. Elvira S. Alvarez Lluís Solé

X-ray powder diffraction (XRD) in combination with the Rietveld method was used to evaluate the proportion of crystalline and amorphous (glassy) phases in fly ashes produced in pulverized-coalcombustion (PCC) power plants. The quantification of amorphous phases through the Rietveld method is most usually carried out i) by using an internal standard or ii) by using a poorly-crystalline phase to ...

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