Analysis of environment of alkali atoms in oxygen-containing compounds with Voronoi-Dirichlet polyhedra

Z. Kristallogr. 1998. V.213, N 4. P.202-209.

Analysis of environment of alkali atoms in oxygen-containing compounds with Voronoi-Dirichlet polyhedra

V.A.Blatov, L.V.Pogildyakova and V.N.Serezhkin

Samara State University, Ac. Pavlov St. 1, 443011 Samara, Russia

E-mail: blatov@ssu.samara.ru

Voronoi-Dirichlet polyhedron / Alkali atom / Atomic volume / Coordination number

Abstract. It is shown that coordination numbers (CN) of alkali atoms can be determined in crystal structures by means of Voronoi-Dirichlet polyhedra without using crystal-chemical radii. It is found that a domain with constant volume corresponds to an alkali atom at CN 6. The conclusion about correctness of application of the model of deformable spheres for the description of alkali atoms in a crystal field is drawn.