Determination of Positions of Zeolitic Calcium Atoms and Water Molecules in Hydrothermally Formed Aluminum-Substiqtuted Tobermorite-1.1nm Using Synchrotron Radiation Powder Diffraction Data

2001 ◽  
Vol 84 (11) ◽  
pp. 2685-2690 ◽  
Author(s):  
Satoru Yamazaki ◽  
Hideo Toraya
Keyword(s):  
Synchrotron Radiation ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Water Molecules ◽  
Powder Diffraction Data

FIDDLE. Simultaneous Indexing and Structure Solution from Powder Diffraction Data using a Genetic Algorithm and Correlation Functions

2019 ◽  
Author(s):  
Carmen Guguta ◽  
Jan M.M. Smits ◽  
Rene de Gelder
Keyword(s):  
Genetic Algorithm ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Correlation Functions ◽  
Cross Correlation ◽  
Simultaneous Optimization ◽  
Powder Diffraction Data ◽  
Structure Solution ◽  
Matching Technique

A method for the determination of crystal structures from powder diffraction data is presented that circumvents the difficulties associated with separate indexing. For the simultaneous optimization of the parameters that describe a crystal structure a genetic algorithm is used together with a pattern matching technique based on auto and cross correlation functions.<br>

Structure Determination of CaH2P2O7 From In Situ Powder Diffraction Data

2000 ◽  
Vol 321-324 ◽  
pp. 374-379 ◽  
Author(s):  
J. Trommer ◽  
M. Schneider ◽  
H. Worzala ◽  
Andrew N. Fitch
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Structure Determination ◽  
Powder Diffraction Data

Structure Determination of Uranium Halogenide Phosphates UXPO4·2H2O (X=Cl, Br) from Powder Diffraction Data

1997 ◽  
Vol 132 (2) ◽  
pp. 315-322 ◽  
Author(s):  
P. Bénard-Rocherullé ◽  
M. Louër ◽  
D. Louër ◽  
N. Dacheux ◽  
V. Brandel ◽  
...  
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Structure Determination ◽  
Powder Diffraction Data
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