ChemInform Abstract: Types of Cationic Complexes Based on Oxocentred Tetrahedra [OM4] in the Crystal Structure of Inorganic Compounds

ChemInform ◽  
2010 ◽  
Vol 29 (30) ◽  
pp. no-no
Author(s):  
S. V. KRIVOVICHEV ◽  
S. K. FILATOV ◽  
T. F. SEMENOVA
Author(s):  
S. V. Krivovichev ◽  
R. R. Shuvalov ◽  
T. F. Semenova ◽  
S. K. Filatov

AbstractThe monoclinic crystal structure of georgbokiite, a new mineral with the chemical composition Cu


2008 ◽  
Vol 23 (4) ◽  
pp. 300-306
Author(s):  
Luis Reinaudi ◽  
Ezequiel P.M. Leiva ◽  
Raúl E. Carbonio

A new way of incorporating powder diffraction data into a cost function to predict the crystalline structure of inorganic solids is proposed. This approach was applied to the following series of compounds: cubic SrTiO3, tetragonal NaNbO3, TiO2 (anatase), tetragonal CaTiO3, and hexagonal BaTiO3. A tremendous increase in the efficiency of obtaining the correct structure is achieved when a cost function based upon this new approach is applied to these problems.


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