From Average to Local Structure: A Rietveld and an Atomic Pair Distribution Function (PDF) Study of Selenium Clusters in Zeolite-NdY

2009 ◽  
Vol 131 (37) ◽  
pp. 13230-13231 ◽  
Author(s):  
A. M. Milinda Abeykoon ◽  
Wolfgang Donner ◽  
Michela Brunelli ◽  
Miguel Castro-Colin ◽  
Allan J. Jacobson ◽  
...  
Keyword(s):  
Distribution Function ◽  
Local Structure ◽  
Pair Distribution Function ◽  
Atomic Pair Distribution Function ◽  
Atomic Pair

Structural analysis of complex materials using the atomic pair distribution function — a practical guide

2003 ◽  
Vol 218 (2) ◽  
Author(s):  
Th. Proffen ◽  
S. J. L. Billinge ◽  
T. Egami ◽  
D. Louca
Keyword(s):  
Distribution Function ◽  
Local Structure ◽  
Pair Distribution Function ◽  
Scientific Community ◽  
Function Technique ◽  
Crystallographic Structure ◽  
Complex Materials ◽  
Atomic Pair Distribution Function ◽  
Atomic Pair ◽  
Structure Solution

AbstractModern materials and their properties are often characterized by varying degrees of disorder. Routine crystallographic structure solution only reveals the average structure. The study of Bragg and diffuse scattering yields the local atomic arrangements holding the key to understanding increasingly complex materials. In this paper we review the pair distribution function technique used to unravel the local structure. We aim to give a practical overview and make this method easily accessible to the wider scientific community.

Short-Range Ordering by Displacement of Tl and O Atoms in Tl2CaBa2cu2O8 Studied by Pair Distribution Function and Rietveld Analysis

1989 ◽  
Vol 156 ◽  
Author(s):  
B. H. Toby ◽  
W. Dmowskia ◽  
T. Egami ◽  
J. D. Jorgensen ◽  
M. A. Subramanian ◽  
...  
Keyword(s):  
Distribution Function ◽  
Local Structure ◽  
Pair Distribution Function ◽  
Short Range ◽  
Function Analysis ◽  
Rietveld Analysis ◽  
Temperature Dependent ◽  
Atomic Pair Distribution Function ◽  
Atomic Pair ◽  
Short Range Ordering

ABSTRACTAtomic pair distribution function analysis has demonstrated displacements of Tl and O atoms within the Tl-O layers with shortrange ordering of lower symmetry than the crystallographic lattice. Two models have been proposed for these displacements. Rietveld analysis neither confirms nor contradicts these models. Temperature-dependent PDF measurements show changes in local structure correlating with temperature.

scholarly journals Atomic pair distribution function analysis of materials containing crystalline and amorphous phases

2005 ◽  
Vol 220 (12/2005) ◽  
Author(s):  
Thomas Proffen ◽  
Katharine L. Page ◽  
Sylvia E. McLain ◽  
Bjørn Clausen ◽  
Timothy W. Darling ◽  
...  
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Amorphous Phases ◽  
Atomic Pair Distribution Function ◽  
Atomic Pair

scholarly journals Nyquist-Shannon sampling theorem applied to refinements of the atomic pair distribution function

2011 ◽  
Vol 84 (13) ◽  
Author(s):  
Christopher L. Farrow ◽  
Margaret Shaw ◽  
Hyunjeong Kim ◽  
Pavol Juhás ◽  
Simon J. L. Billinge
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Sampling Theorem ◽  
Atomic Pair Distribution Function ◽  
Atomic Pair ◽  
Shannon Sampling Theorem
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