I'm not exactly sure = what you're=20 looking for but the website of the structure commission of the = international=20 zeolite association (http://www.iza-structure.org/)= =20 has structural data for some of the dense and all of the porous = frameworks=20 which have been experimentally prepared in a siliceous or strongly = related=20 (aluminosilicates, aluminophosphates, GeO2 etc. etc.) chemical = compositions=20 (see: http://topaz.ethz.ch= /IZA-SC/XRDpatterns.htm).=20 In the latter case you obviously have to change Al, P etc. etc. to Si = and remove=20 any cations.

>> From: "Parveen Sachdeva=20 pksiit]![gmail.com" <owner-chemistry|-|ccl.net>
> Reply-To: = "CCL=20 Subscribers" <chemistry|-|ccl.net>
> Date: Thu, 21 Sep = 2006=20 21:52:53 -0400
>
>>Sent to CCL by: "Parveen = Sachdeva"=20 [pksiit+*+gmail.com]
>>Hi Everybody,
>>
>>I = want to=20 generate various configurations of SiO2 (alpha quartz) for molecular = dynamics=20 study. I was trying to find some literature online but did not manage = much. If=20 anyone can help me suggest some method of generating lattice structures = or some=20 software that does that it would be great help. =
>>
>>I want=20 to generates coordinates of SiO2 as nx,ny,nz number of unit cells in = each=20 direction. I hope I'm able to explain what I am trying to do=20 here.
>>
>>thanks for the help in=20 advance.
>>Parveen>
>>
>>
>>
&g= t;
>=20
>
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