Subject: Summary: Question about Zeolite coordinates

From: Harald Lanig <[email-masked]>
Date: Tue, 17 Feb 1998 17:21:16 +0100

[--- sorry for intrusion -- heavily compacted by [email-masked] ---]

Dear Reader,

here is a summary of the answers concerning my question about
zeolite coordinates. Thanks a lot to everyone, especially to
Brian Teppen!

Best wishes

-Harry

-- 
---------------------------------------------------------------------
 Dr. Harald Lanig
 Computer Chemie Centrum der Universitaet Erlangen/Nuernberg
 Institut fuer Organische Chemie I
 Naegelsbachstr. 25
 D-91052 Erlangen, Germany
 
 Phone +49(0)9131-85 6581  Fax -85 6565
 mailto:[email-masked]
 http://www.organik.uni-erlangen.de/clark/lanig
---------------------------------------------------------------------

===================================================
> From - Fri Jan 30 09:21:40 1998
Date: Thu, 29 Jan 1998 20:18:35 +0100 (NFT)
From: "Dr. Bruno Manunza" <[email-masked]>
To: Harald Lanig <[email-masked]>
Cc: [email-masked]

On Thu, 29 Jan 1998, Harald Lanig wrote:

> Dear readers,
> 
> within a project calculating the adsorption energy of small organic
> ........
Dear Harald,
	you may check the 'zeolite web' at
http://trigger.ch.umist.ac.uk:8081/zeolites/web/intro.htm
it has a database of structures which may be helpful to you.

Regards
Bruno

Dr Bruno Manunza
DISAABA (Dept. of Agricultural Environm. Sci)
University of Sassari
V.le Italia 39
07100 Sassari, ITALY
phone: 39 79 229215
fax:   39 79 229276
e-mail: [email-masked]
e-mail: [email-masked]
e-mail: [email-masked]
web: http://antas.agraria.uniss.it

===================================================
> From - Fri Jan 30 09:21:40 1998
Message-Id: <[email-masked]>
Date: Fri, 30 Jan 1998 08:49:55 +0100
To: [email-masked]
From: Armel Le Bail <[email-masked]>
Subject: Re: CCL:Zeolite coordinates
Cc: [email-masked]

There is a demo version of the ICSD (Inorganic Crystal Structure
Database) with full access to 4% of the data. There are 33 zeolites
inside (courtesy of A. Hewat, ILL-Grenoble and ICSD)

Go to the form :
http://193.49.43.4/dif/icsd/icsdm.htm
type anything as "username", type "zeolite" as "mineral name",
remove the "for expert only" and click on "go".
The more general entry is :
http://193.49.43.4/dif/icsd/

Best wishes

Armel Le Bail - Universite du Maine - Laboratoire des Fluorures
CNRS UPRESA 6010 - Avenue O. Messiaen - 72085 Le Mans cedex 9 - France
Web : http://fluo.univ-lemans.fr:8001/

===================================================
> From - Thu Jan 29 17:33:09 1998
Message-ID: <[email-masked]>
From: "Stavrev, Krassimir" <[email-masked]>
To: "'Harald Lanig'" <[email-masked]>
Subject: RE: Zeolite coordinates
Date: Thu, 29 Jan 1998 11:27:58 -0500

Harald: Have a look at the Oxford database,
http://www.chem.ox.ac.uk/mom/default.html

I think I saw a zeolite structure (ZSM-5) on the list.  

Regards,
Krassimir  
---
Krassimir Stavrev, PhD, Director of Scientific Support
Hypercube, Inc.  Florida Science  and  Technology Park
1115  N.W.  4th Street  Gainesville,   Florida   32601
Voice:(352) 371-7744/(800) 960-1871 Fax:(352) 371-3662

===================================================
> From - Thu Jan 29 17:39:39 1998
Date: Thu, 29 Jan 1998 10:27:17 -0500
From: Brian Teppen <[email-masked]>
To: [email-masked]
Subject: CCL:Zeolite coordinates -Reply

Hello, Harald Lanig:

I do not know of any public databases, but I have MSI's molecular
modeling software and I would be willing to supply you with a few
lists of Cartesian coordinates.  Please send me the zeolites and
sizes that you want, and I will make some files that I can send to
you.

Best wishes,

Brian J. Teppen                                      [email-masked]
Advanced Analytical Center for Environmental Sciences
Savannah River Ecology Laboratory
University of Georgia
Drawer E
Aiken, SC 29802

phone:803-725-8157                    fax:803-725-3309

===================================================
> From - Thu Jan 29 17:11:01 1998
From: "Andreas Parusel" <[email-masked]>
Date: Thu, 29 Jan 1998 17:01:26 +0100
To: Harald Lanig <[email-masked]>
Subject: Re: CCL:Zeolite coordinates

hi harry....

auf meine mail antwortest ja gar nimmer .... aber vielleicht kann ich dir
weiterhelfen mit dne zeolithen.

der prof. schwarz an der tu hier in wien macht viel mit zeolithen und klaus
rechnet dazu.

mail ihn mal an, er kann dir sicher weiterhelfen. er is recht nett .. aber ein
wenmig arg auf die arbeit konzentirert

[email-masked]

http://info.tuwien.ac.at/physchem/staff/kleestorfer/

baba
andreas

-- 
=======================================================================
   _/_/  _/_/              [email-masked]          =
  _/  _/_/  _/             [email-masked]       =
  _/  _/_/  _/             [email-masked]                 =
   _/_/  _/_/              http://majestix.msp.univie.ac.at/~andreas  =
                                                                      =
  Andreas Parusel                                                     =
  Department of Theoretical Chemistry and Radiation Chemistry         = 
  Althanstr. 14                   A-1090 Vienna                       =
  Tel +43 1 31336 1572            Fax  +43 1 31336 790                =
=======================================================================

===================================================
> From - Thu Jan 29 17:11:01 1998
From: [email-masked] (Marek Sierka)
Date: Thu, 29 Jan 1998 16:51:10 +0000
To: Harald Lanig <[email-masked]>
Subject: Re: CCL:Zeolite coordinates

Dear Harald,

Have a look at home page of International Zeolite Association:
http://www.iza-sc.ethz.ch/IZA-SC/index.html.

Regards,

Marek Sierka

-- 

Marek Sierka
address: Zi. 306, Jaegerstr. 10-11, 10117 Berlin, Germany
e-mail: * official [email-masked]
	* private  [email-masked]

===================================================
> From - Thu Jan 29 18:41:35 1998
Message-Id: <[email-masked]>
Date: Thu, 29 Jan 1998 17:09:51 +0000
To: Harald Lanig <[email-masked]>
From: Brendan Howlin <[email-masked]>
Subject: Re: CCL:Zeolite coordinates

Dear Harald,
                        Try the Inorganic Crystal Structure Database (ICDS)
which is at Daresbury laboratory in the UK but may be available elsewhere.
                                                                Regards
                                                                            
    Brendan

*****************************************	
*	Dr. Brendan James Howlin		*	
*	Senior Lecturer			*
*	Department of Chemistry		*
*	School of Physical Sciences		*
*	University of Surrey			*
*	Guildford				*
*	 Surrey				*
*	GU2 5XH				*
*	UK				*
*	Tel: 01483-300800 x 2592		*
*	Fax: 01483-259514			*
*****************************************

===================================================
> From - Thu Jan 29 18:41:35 1998
Date: Thu, 29 Jan 1998 11:18:06 -0600
Message-Id: <199801291718.LAA00801@tintin>
To: [email-masked]
Subject: Re: CCL:Zeolite coordinates

===================================================
> From - Fri Jan 30 09:49:38 1998
Date: Fri, 30 Jan 1998 09:43:11 +0100
From: Gabriele Valerio <[email-masked]>
Organization: Politecnico di Milano
To: Harald Lanig <[email-masked]>
Subject: Re: CCL:Zeolite coordinates

Dear Harald,

check this site as a Zeolites database:

http://kristall.erdw.ethz.ch/IZA-SC/

and this other one for a good software to generate one or more unit cell
from the crystallographic data (space group and asymmetric unit
coordinates), in cartesian or other formats:

http://www.ch.unito.it/ch/DipIFM/Software/MOLDRAW/moldraw.html

Regards,
Gabriele

-- 
Gabriele VALERIO
[email-masked]

===================================================
> From - Fri Jan 30 16:27:46 1998
Message-Id: <v03110700b0f79c5c18ac@[205.243.139.24]>
In-Reply-To: <[email-masked]>
Date: Fri, 30 Jan 1998 09:19:26 -0600
To: Harald Lanig <[email-masked]>
From: Ernest Chamot <[email-masked]>
Subject: Re: CCL:Zeolite coordinates

Dear Harald,

You asked for:

>. . .  I need cartesian coordinates of a few zeolites
>in various dimensions (to check the size dependence of the model).

Bruno pointed you at a useful web site:

>	you may check the 'zeolite web' at
>http://trigger.ch.umist.ac.uk:8081/zeolites/web/intro.htm
>it has a database of structures which may be helpful to you.

but I don't believe there are actual atomic coordinates there.  I have a
library of zeolite structures I have built from literature XRD data (based
primarily on high or all silicon aluminosilicates) for 19 zeolite
classifications in the CAChe molecule format, and could send you some
zeolite structures in this form.  If you don't have access to the CAChe
software and only want a few zeolites, I could just build some different
size crystals for you and send you the cartesian coordinates.  You could
work with the numbers, or use RasMol or XMol to examine them (although they
may not visualize the unit cell and symmetry cell boundaries) as Bruno
suggested.

Let me know what you need if you're interested.

EC
---

Ernest Chamot
Chamot Laboratories, Inc.
530 E. Hillside Rd.
Naperville, IL 60540
(630) 637-1559
[email-masked]
http://www.chamotlabs.com/cl

===================================================
> From - Tue Feb  3 11:28:42 1998
From: "Prof. Dr. U. Kynast" <[email-masked]>
To: [email-masked]
Date: Tue, 3 Feb 1998 10:30:53 +0000
Subject: zeo-search

Dear Harald, you may wanna try 
http://www.iza-sc.ethz.ch/IZA-SC/index.html
if you haven't already. Good stuff, good luck,
uli kynast

===================================================
> From - Mon Feb  2 09:00:36 1998
Date: Fri, 30 Jan 1998 08:49:55 +0100
To: [email-masked]
From: Armel Le Bail <[email-masked]>
Subject: CCL:Re: CCL:Zeolite coordinates
Cc: [email-masked]

There is a demo version of the ICSD (Inorganic Crystal Structure
Database) with full access to 4% of the data. There are 33 zeolites
inside (courtesy of A. Hewat, ILL-Grenoble and ICSD)

Go to the form :
http://193.49.43.4/dif/icsd/icsdm.htm
type anything as "username", type "zeolite" as "mineral name",
remove the "for expert only" and click on "go".
The more general entry is :
http://193.49.43.4/dif/icsd/

Best wishes

Armel Le Bail - Universite du Maine - Laboratoire des Fluorures
CNRS UPRESA 6010 - Avenue O. Messiaen - 72085 Le Mans cedex 9 - France
Web : http://fluo.univ-lemans.fr:8001/

===================================================
> From - Mon Feb 16 18:09:44 1998
Date: Mon, 16 Feb 1998 10:52:59 -0500
From: Brian Teppen <[email-masked]>
To: [email-masked]
Subject: Zeolites again... -Reply

Harald:

Thank you for the information, and I have all the files.  Now a new
problem:  Earlier, you requested that the files be written in CSD
format.  My MSI software can read the cambridge format but cannot
write it.  

In an effort to at least do something, I have appended and attached
the three structures in PDB format, since that may be a format your
software can read.  The other output options that I have available
are:
Biograf format
cssr format (fractional crystal coordinates)
maccs (molfile format)
mopac format
shelx format
and the usual msi formats (.msi, .car, .xtl).

Will any of these work better for you?

Otherwise, I would be happy to send you a text file of all the atoms
in the unit cell. The files below only contain the asymmetric unit.

Best wishes, and I hope I can help you,

Brian Teppen

REMARK   4 FAUJASITE  COMPLIES WITH FORMAT V. 2.0 
CRYST1   25.028   25.028   25.028  90.00  90.00  90.00 F d -3      
SCALE1       0.03996   0.00000   0.00000        0.00000
SCALE2       0.00000   0.03996   0.00000        0.00000
SCALE3       0.00000   0.00000   0.03996        0.00000
HETATM    1 AL2  UNK     0      23.688   0.919   3.081  1.00  0.00   
      AL3+
HETATM    2 SI1  UNK     0      23.704   3.118   0.878  1.00  0.00   
      SI3-
HETATM    3  O5  UNK     0      24.225   1.827   1.702  1.00  0.00   
       O1-
HETATM    4  O6  UNK     0      23.261   1.932   4.407  1.00  0.00   
       O2-
HETATM    5  O3  UNK     0      22.277   0.005   2.638  1.00  0.00   
       O2-
HETATM    6  O4  UNK     0      24.965  24.925   3.617  1.00  0.00   
       O2-
TER       7      UNK     0 
END

REMARK   4 LINDE TYPE A  COMPLIES WITH FORMAT V. 2.0 
CRYST1   24.610   24.610   24.610  90.00  90.00  90.00 F m -3 c    
SCALE1       0.04063   0.00000   0.00000        0.00000
SCALE2       0.00000   0.04063   0.00000        0.00000
SCALE3       0.00000   0.00000   0.04063        0.00000
HETATM    1  O4  UNK     0       0.000   3.600   3.632  1.00  0.00   
       O1-
HETATM    2 AL2  UNK     0       0.000   4.587   2.220  1.00  0.00   
      AL3+
HETATM    3  O3  UNK     0       0.000   2.746   6.086  1.00  0.00   
       O1-
HETATM    4  O5  UNK     0       1.324   1.435   4.194  1.00  0.00   
       O1-
HETATM    5 SI1  UNK     0       0.000   2.286   4.538  1.00  0.00   
      SI1-
TER       6      UNK     0 
END

REMARK   4 ZSM-5, SILICALITE  COMPLIES WITH FORMAT V. 2.0 
CRYST1   20.022   19.899   13.383  90.00  90.00  90.00 P n m a     
SCALE1       0.04995   0.00000   0.00000        0.00000
SCALE2       0.00000   0.05025   0.00000        0.00000
SCALE3       0.00000   0.00000   0.07472        0.00000
HETATM    1  O24 UNK     0       4.901  16.727  10.142  1.00  0.00   
       O  
HETATM    2  O25 UNK     0       6.101  18.884  10.886  1.00  0.00   
       O1-
HETATM    3  O26 UNK     0       1.538  18.866  11.016  1.00  0.00   
       O1-
HETATM    4  O36 UNK     0       3.772  14.924   8.648  1.00  0.00   
       O1-
HETATM    5 SI4  UNK     0       2.446   1.253   0.357  1.00  0.00   
      SI3-
HETATM    6  O27 UNK     0       8.331   2.539   8.169  1.00  0.00   
       O1-
HETATM    7 SI6  UNK     0       3.732   1.173   8.991  1.00  0.00   
      SI  
HETATM    8 SI1  UNK     0       8.457   1.124   8.887  1.00  0.00   
      SI2-
HETATM    9  O13 UNK     0       7.460   1.063  10.115  1.00  0.00   
       O  
HETATM   10  O16 UNK     0       1.940   1.216  12.237  1.00  0.00   
       O1-
HETATM   11  O28 UNK     0       8.181  19.865   7.848  1.00  0.00   
       O2-
HETATM   12  O35 UNK     0       8.393  14.924   8.645  1.00  0.00   
       O1-
HETATM   13  O38 UNK     0       2.172  14.924   0.818  1.00  0.00   
       O1-
HETATM   14  O32 UNK     0       3.906  17.330   7.776  1.00  0.00   
       O1-
HETATM   15 SI10 UNK     0       2.414  16.455   0.399  1.00  0.00   
      SI2-
HETATM   16 SI7  UNK     0       8.462  16.466   9.004  1.00  0.00   
      SI1-
HETATM   17 SI3  UNK     0       5.588   1.219   0.418  1.00  0.00   
      SI3-
HETATM   18  O21 UNK     0       3.964  16.807   0.385  1.00  0.00   
       O  
HETATM   19 SI11 UNK     0       1.410  17.305  10.947  1.00  0.00   
      SI1-
HETATM   20  O15 UNK     0       4.018   1.178   0.387  1.00  0.00   
       O  
HETATM   21  O17 UNK     0       2.301   1.077   9.685  1.00  0.00   
       O  
HETATM   22  O22 UNK     0       1.822  16.687  12.343  1.00  0.00   
       O1-
HETATM   23  O20 UNK     0       6.177  16.811  12.409  1.00  0.00   
       O1-
HETATM   24  O34 UNK     0      19.942  16.858  10.602  1.00  0.00   
       O2-
HETATM   25  O30 UNK     0       3.776   2.583   8.249  1.00  0.00   
       O1-
HETATM   26 SI9  UNK     0       5.517  16.461   0.416  1.00  0.00   
      SI2-
HETATM   27  O23 UNK     0       2.341  16.759   9.778  1.00  0.00   
       O  
HETATM   28  O29 UNK     0       8.049  17.284   7.710  1.00  0.00   
       O1-
HETATM   29  O33 UNK     0      19.942   0.846  10.602  1.00  0.00   
       O2-
HETATM   30  O31 UNK     0       3.884   0.014   7.920  1.00  0.00   
       O1-
HETATM   31 SI8  UNK     0       6.162  17.309  10.901  1.00  0.00   
      SI  
HETATM   32 SI5  UNK     0       1.427   0.542  10.900  1.00  0.00   
      SI2-
HETATM   33  O19 UNK     0       7.492  16.793  10.209  1.00  0.00   
       O  
HETATM   34 SI2  UNK     0       6.150   0.552  10.850  1.00  0.00   
      SI1-
HETATM   35  O37 UNK     0       5.772  14.924   0.775  1.00  0.00   
       O1-
HETATM   36  O14 UNK     0       6.175   1.168  12.327  1.00  0.00   
       O1-
HETATM   37  O18 UNK     0       4.875   1.100  10.091  1.00  0.00   
       O  
HETATM   38 SI12 UNK     0       3.745  16.451   9.109  1.00  0.00   
      SI  
TER      39      UNK     0 
END

<><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><>

REMARK   4 FAU  COMPLIES WITH FORMAT V. 2.0 
CRYST1   25.028   25.028   25.028  90.00  90.00  90.00 F d -3      
SCALE1       0.03996   0.00000   0.00000        0.00000
SCALE2       0.00000   0.03996   0.00000        0.00000
SCALE3       0.00000   0.00000   0.03996        0.00000
HETATM    1 AL2  UNK     0      23.688   0.919   3.081  1.00  0.00          AL3+
HETATM    2 SI1  UNK     0      23.704   3.118   0.878  1.00  0.00          SI3-
HETATM    3  O5  UNK     0      24.225   1.827   1.702  1.00  0.00           O1-
HETATM    4  O6  UNK     0      23.261   1.932   4.407  1.00  0.00           O2-
HETATM    5  O3  UNK     0      22.277   0.005   2.638  1.00  0.00           O2-
HETATM    6  O4  UNK     0      24.965  24.925   3.617  1.00  0.00           O2-
TER       7      UNK     0 
END

<><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><>

REMARK   4 LTA  COMPLIES WITH FORMAT V. 2.0 
CRYST1   24.610   24.610   24.610  90.00  90.00  90.00 F m -3 c    
SCALE1       0.04063   0.00000   0.00000        0.00000
SCALE2       0.00000   0.04063   0.00000        0.00000
SCALE3       0.00000   0.00000   0.04063        0.00000
HETATM    1  O4  UNK     0       0.000   3.600   3.632  1.00  0.00           O1-
HETATM    2 AL2  UNK     0       0.000   4.587   2.220  1.00  0.00          AL3+
HETATM    3  O3  UNK     0       0.000   2.746   6.086  1.00  0.00           O1-
HETATM    4  O5  UNK     0       1.324   1.435   4.194  1.00  0.00           O1-
HETATM    5 SI1  UNK     0       0.000   2.286   4.538  1.00  0.00          SI1-
TER       6      UNK     0 
END

<><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><>

REMARK   4 MFI  COMPLIES WITH FORMAT V. 2.0 
CRYST1   20.022   19.899   13.383  90.00  90.00  90.00 P n m a     
SCALE1       0.04995   0.00000   0.00000        0.00000
SCALE2       0.00000   0.05025   0.00000        0.00000
SCALE3       0.00000   0.00000   0.07472        0.00000
HETATM    1  O24 UNK     0       4.901  16.727  10.142  1.00  0.00           O  
HETATM    2  O25 UNK     0       6.101  18.884  10.886  1.00  0.00           O1-
HETATM    3  O26 UNK     0       1.538  18.866  11.016  1.00  0.00           O1-
HETATM    4  O36 UNK     0       3.772  14.924   8.648  1.00  0.00           O1-
HETATM    5 SI4  UNK     0       2.446   1.253   0.357  1.00  0.00          SI3-
HETATM    6  O27 UNK     0       8.331   2.539   8.169  1.00  0.00           O1-
HETATM    7 SI6  UNK     0       3.732   1.173   8.991  1.00  0.00          SI  
HETATM    8 SI1  UNK     0       8.457   1.124   8.887  1.00  0.00          SI2-
HETATM    9  O13 UNK     0       7.460   1.063  10.115  1.00  0.00           O  
HETATM   10  O16 UNK     0       1.940   1.216  12.237  1.00  0.00           O1-
HETATM   11  O28 UNK     0       8.181  19.865   7.848  1.00  0.00           O2-
HETATM   12  O35 UNK     0       8.393  14.924   8.645  1.00  0.00           O1-
HETATM   13  O38 UNK     0       2.172  14.924   0.818  1.00  0.00           O1-
HETATM   14  O32 UNK     0       3.906  17.330   7.776  1.00  0.00           O1-
HETATM   15 SI10 UNK     0       2.414  16.455   0.399  1.00  0.00          SI2-
HETATM   16 SI7  UNK     0       8.462  16.466   9.004  1.00  0.00          SI1-
HETATM   17 SI3  UNK     0       5.588   1.219   0.418  1.00  0.00          SI3-
HETATM   18  O21 UNK     0       3.964  16.807   0.385  1.00  0.00           O  
HETATM   19 SI11 UNK     0       1.410  17.305  10.947  1.00  0.00          SI1-
HETATM   20  O15 UNK     0       4.018   1.178   0.387  1.00  0.00           O  
HETATM   21  O17 UNK     0       2.301   1.077   9.685  1.00  0.00           O  
HETATM   22  O22 UNK     0       1.822  16.687  12.343  1.00  0.00           O1-
HETATM   23  O20 UNK     0       6.177  16.811  12.409  1.00  0.00           O1-
HETATM   24  O34 UNK     0      19.942  16.858  10.602  1.00  0.00           O2-
HETATM   25  O30 UNK     0       3.776   2.583   8.249  1.00  0.00           O1-
HETATM   26 SI9  UNK     0       5.517  16.461   0.416  1.00  0.00          SI2-
HETATM   27  O23 UNK     0       2.341  16.759   9.778  1.00  0.00           O  
HETATM   28  O29 UNK     0       8.049  17.284   7.710  1.00  0.00           O1-
HETATM   29  O33 UNK     0      19.942   0.846  10.602  1.00  0.00           O2-
HETATM   30  O31 UNK     0       3.884   0.014   7.920  1.00  0.00           O1-
HETATM   31 SI8  UNK     0       6.162  17.309  10.901  1.00  0.00          SI  
HETATM   32 SI5  UNK     0       1.427   0.542  10.900  1.00  0.00          SI2-
HETATM   33  O19 UNK     0       7.492  16.793  10.209  1.00  0.00           O  
HETATM   34 SI2  UNK     0       6.150   0.552  10.850  1.00  0.00          SI1-
HETATM   35  O37 UNK     0       5.772  14.924   0.775  1.00  0.00           O1-
HETATM   36  O14 UNK     0       6.175   1.168  12.327  1.00  0.00           O1-
HETATM   37  O18 UNK     0       4.875   1.100  10.091  1.00  0.00           O  
HETATM   38 SI12 UNK     0       3.745  16.451   9.109  1.00  0.00          SI  
TER      39      UNK     0 
END
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===================================================
> From - Sat Feb 14 12:47:29 1998
Date: Fri, 13 Feb 1998 11:30:11 -0500
From: Brian Teppen <[email-masked]>
To: [email-masked]
Subject: Zeolite structures -Reply

Hello, Harald:

Yes, I will be happy to comply.  Unfortunately, I am no expert on
zeolite structures, so I need some help with your request.

I have found the ZSM-5 structure.
But for A, X, and silicalite, are there other, more general names for
the structures?  I ask, because I have a database of filenames and
none are A, X, or silicalite.  My understanding is that the database
contains all the structural types, but that variations are caused by
the level of Al substitution in the framework.  I remember that
silicalite has zero substitution, but which framework does it have?
And do you know of other names for the A and X structures?

Also, as a favor, do you know what framework corresponds to zeolite
Y, as well? A colleague has asked me but I don't know.

Thanks,

Brian J. Teppen                                      [email-masked]
Advanced Analytical Center for Environmental Sciences
Savannah River Ecology Laboratory
University of Georgia
Drawer E
Aiken, SC 29802

phone:803-725-8157                    fax:803-725-3309