Structural determination of Li1−yNi0.5Mn0.5O2(y = 0.5) using a combination of Rietveld analysis and the maximum entropy method

2004 ◽  
Vol 14 (1) ◽  
pp. 40-42 ◽  
Author(s):  
Hironori Kobayashi ◽  
Yoshinori Arachi ◽  
Hiroyuki Kageyama ◽  
Kuniaki Tatsumi
2010 ◽  
Vol 18 (15) ◽  
pp. 15853 ◽  
Author(s):  
Takeya Unuma ◽  
Yusuke Ino ◽  
Makoto Kuwata-Gonokami ◽  
Erik M. Vartiainen ◽  
Kai-Erik Peiponen ◽  
...  

2004 ◽  
Vol 37 (5) ◽  
pp. 698-702 ◽  
Author(s):  
H. Yamada ◽  
W. S. Shi ◽  
C. N. Xu

The crystal structure of a strontium europium aluminate, Sr0.864Eu0.136Al2O4, with a novel hexagonal form was investigated by a combination of Rietveld analysis and the maximum-entropy method (MEM) with synchrotron X-ray powder diffraction data. The electron density image calculated by the MEM/Rietveld method revealed that the apical oxygen ion in the AlO4tetrahedron has a broad distribution corresponding to an extraordinarily large atomic displacement parameter. This structure could be expressed by a split-atom model, with which the Rietveld refinement gaveRwp= 2.99% andRB= 4.16%. Subsequently, MEM-based pattern fitting (MPF) decreased theRfactors toRwp= 2.81% andRB= 2.34% and the electron density image clearly showed that the apical oxygen ions of the AlO4tetrahedra are split over three sites around a threefold axis involving an elongated distribution of the residual O ions along thecaxis. These results suggest that AlO4tetrahedra in Sr0.864Eu0.136Al2O4are orientationally disordered.


The Analyst ◽  
2015 ◽  
Vol 140 (24) ◽  
pp. 8138-8147 ◽  
Author(s):  
Rosario Esposito ◽  
Giuseppe Mensitieri ◽  
Sergio de Nicola

A new algorithm based on the Maximum Entropy Method (MEM) is proposed for recovering the lifetime distribution and the zero-time shift from experimental time-resolved fluorescence decays.


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