Re: [Ifeffit] Incorrect distances obtaines from Scorodite CIF file

Hi Elsa: If you open the scorodit.cif file you will find that the space group is "P c a b". When you read the file into Artemis the space group gets scrambled up. If you fix the space group on the atoms page, it will work. Shelly On Fri, Oct 1, 2010 at 12:06 PM, Elsa Sileo wrote:

Dear Shelly, thanks for your answer to the Eo aligment. Now I am attaching the the scorodite CIF file because I get incorrect As-Fe distances when I use it to obtain the feff path. I hope someone has the answer,

Elsa

_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit