Stereoatomic model of the structure of inorganic and coordination compounds

Citation
Va. Blatov et Vn. Serezhkin, Stereoatomic model of the structure of inorganic and coordination compounds, RUSS J IN C, 45, 2000, pp. S105-S222
Citations number
192
Categorie Soggetti
Inorganic & Nuclear Chemistry
Journal title
RUSSIAN JOURNAL OF INORGANIC CHEMISTRY
ISSN journal
00360236 → ACNP
Volume
45
Year of publication
2000
Supplement
2
Pages
S105 - S222
Database
ISI
SICI code
0036-0236(2000)45:<S105:SMOTSO>2.0.ZU;2-I
Abstract
The most important concepts and methods used in studying the geometrical an d topological properties of crystal structures are considered, and a critic al analysis of their potentialities for state-of-the-art crystal chemistry is performed. A new stereoatomic model of crystal structure is suggested in which atoms and atom groups are represented by their Voronoi-Dirichlet pol yhedra. The fundamental difference between this model and the known applica tions of the Voronoi-Dirichlet polyhedra to crystal-chemical analysis is in the use of a number of rules, principles, and procedures based on the phys ically justified correlation between the characteristics of the domain of i nfluence of an atom in the structure and those of its Voronoi-Dirichlet pol yhedron. Numerous examples demonstrate the universality of the stereoatomic model, which allows one to appreciably automate the crystal-chemical analy sis of both individual compounds and entire classes of inorganic and coordi nation compounds.