Phase transitions and formation of polytypes in crystal structures of ionic compounds


Chem. Met. Alloys 1 (2008) 235-243




In the present investigation a new approach for a design of system of chemical bonds in crystals geometric conception of chemical bond (GCCB) has been used. In GCCB the term chemical bond, the shape of the atoms and the relative dimensions of the valence orbitals of the atoms are strictly determined in initial postulates that allow to obtain a full collection of all possible valence configurations of the atoms. The configurations of excited atoms are used as the elements for design of crystal structures. Models of systems of chemical bonds in basic structural types of ionic compounds have been created.


Calculation of the atomic radii in CsCl structures.



Ionic radii / Ionic bond