Buy article online - an online subscription or single-article purchase is required to access this article.
Download citation
Download citation
link to html
The original option SOLV of the program PLATON, which is primarily devoted to the study of organic structures, has been extended to studies of microporous inorganic crystals. The space that is available for a potential spherical guest within a pore can be regarded as being outlined by rolling a sphere of the guest's radius over the surfaces of the host atoms that form the pore. The volumes of the pores are determined in Å3 and the pore shapes can be drawn. The pore volumes of several microporous phases have been calculated and compared with results obtained with other methods. An essential feature of the program is the option to vary a parameter called `probe radius', which models the size of a guest. The decision whether a void is a pore or not and the dimensionality of a pore depend on the radius of the guest, which is approximated by a sphere. This is demonstrated for the structure of the zeolite afghanite. With decreasing probe radius, cages can coalesce into larger cages and finally into channels and channel systems. The variation of the probe radius allows one to determine whether a window between adjacent pores is permeable to guests; in addition, diffusion paths in zeolites and zeolite-like structures can be determined and visualized.

Subscribe to Journal of Applied Crystallography

The full text of this article is available to subscribers to the journal.

If you have already registered and are using a computer listed in your registration details, please email support@iucr.org for assistance.

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.
E-mail address* 
Repeat e-mail address* 
(for error checking) 

Format*   PDF (US $40)
   HTML (US $40)
   PDF+HTML (US $50)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number 
(non-UK EC countries only) 
Country* 
 

Terms and conditions of use
Contact us

Follow J. Appl. Cryst.
Sign up for e-alerts
Follow J. Appl. Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds