Re: [Ifeffit] Primitive unit cell from .cif file

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@millenia.cars.aps.anl.gov (on behalf of joshua jason kas ) Subject: [Ifeffit] Primitive unit cell from .cif file To: ifeffit@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 _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit