[Ifeffit] Primitive unit cell from .cif file

[Eugenio Otal]

Josh,
you can also try with Mercury, has a free version at:
http://www.ccdc.cam.ac.uk/products/mercury/
Hope it helps, euG





8<- - - - - - 8<- - - - - - 8<- - - - - - 8<- - - - - -

Hi Josh,
  You may try Diamond Demo version which is free.

http://www.crystalimpact.com/diamond/download.htm

Good luck,

Mengqiang Zhu









-----------------------
Mengqiang Zhu
Ph.D Candidate
Environmental Soil Chemistry
Department of Plant and Soil Sciences
University of Delaware
152 Townsend Hall
Newark, DE 19716
http://ag.udel.edu/soilchem/zhu.html


---- Original message ----
>*Date: Wed, 17 Jun 2009 11:16:49 -0700 (PDT)
*>*From: ifeffit-bounces at millenia.cars.aps.anl.gov
<http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit> (on behalf
of joshua jason kas <hebhop at u.washington.edu
<http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit>>)
*>*Subject: [Ifeffit] Primitive unit cell from .cif file
*>*To: ifeffit at millenia.cars.aps.anl.gov
<http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit>
*>*
*>*Hi everyone,
*>*I was wondering if there is a simple (free) utility for producing a
*>*primitive cell (not conventional) from an asymmetric cell and space group.
*>*Basically, I want to be able to easily go from a crystallographic
*>*information file to a primitive unit cell. I know that there are ways to
*>*do this within applications like material studio, but these are expensive.
*>*Any help would be appreciated.
*>*Thanks,
*>*Josh Kas
*>*_______________________________________________
*>*Ifeffit mailing list
*>*Ifeffit at millenia.cars.aps.anl.gov
<http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit>
*>*http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
*
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