Analysis of microporous mineral phases with Voronoi-Dirichlet polyhedra
Blatov, Vladislav A.; Blatova, Olga A.; Ilyushin, Gregory D.; Dem'Yanets, Lyudmila N.
European Journal of Mineralogy Volume 17 Number 6 (2006), p. 819 - 827
published: Jan 4, 2006
ArtNo. ESP147051706004, Price: 29.00 €
The methods for computer characterization of voids in crystal structures using Voronoi-Dirichlet polyhedra are applied to microporous mineral phases. It is shown that these methods allow an appropriate visualization of interstitial voids, cavities, cages, and channels, which provides an estimate of their geometrical properties, such as size and shape. Some typical minerals are considered to analyse the system of voids, and the methods are found to be an effective tool for predicting the type and positions of interstitial cations.