[Ifeffit] Primitive unit cell from .cif file

Eugenio Otal eugenioh at gmail.com
Wed Jun 17 21:57:18 CDT 2009

you can also try with Mercury, has a free version at:
Hope it helps, euG

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

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


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

---- 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
*>*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.
*>*Josh Kas
*>*Ifeffit mailing list
*>*Ifeffit at millenia.cars.aps.anl.gov
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