Subject: Re: CCL:Calculating the Vertex Symbols

From: "German I. Sastre Navarro" <[email-masked]>
Date: Thu, 3 May 2001 11:12:47 -0700 (PDT)

Dear Martin,

On Tue, 1 May 2001, Martin D. Foster wrote:

> could anyone point me to a piece of code that calculates the vertex
> symbols of a crystal structure?
> 
> TIA
> 
> cheers, martin.
> 
> --------------------------------------------------------------------------
> Martin D. Foster       
> Royal Institution of Great Britain       	Phone: +44 (0)207-409-2992
> Registered Charity Number 227938		Fax:   +44 (0)207-629-3569
> Davy Faraday Research Laboratory		email: [email-masked]
> 21 Albemarle Street
> LONDON W1S 4BS, UK
> __________________________________________________________________________
> 

  The fortran code "zeoTsites" can make it for three-dimensional
  four-connected nets. It also has some capabilities for higher
  connectivities but has not been properly tested.
  The code is free for academic and can be easily obtained from
  the authors. There is a recent publication which shows the program
  features:
                        
   journal title: Microporous and Mesoporous Materials
   article title: ZeoTsites: a code for topological and
                  crystallographic tetrahedral sites
                  analysis in zeolites and zeotypes
         authors: G. Sastre and J.D. Gale
            year: 2001
    volume/issue: 43/1
           pages: 27-40

   Hope this helps

   Regards
   German
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