[Ifeffit] Primitive unit cell from .cif file

mzhu at udel.edu mzhu at udel.edu
Wed Jun 17 13:42:21 CDT 2009


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 (on behalf of joshua jason kas <hebhop at u.washington.edu>)
>Subject: [Ifeffit] Primitive unit cell from .cif file  
>To: ifeffit at millenia.cars.aps.anl.gov
>
>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
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>Ifeffit mailing list
>Ifeffit at millenia.cars.aps.anl.gov
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