[Ifeffit] Converting PDF files to CIF files for usage in Artemis

Bruce Ravel bravel at bnl.gov
Mon Aug 8 16:15:34 CDT 2016

Have you read the Colinet & Pasturel paper?  Skimming through it, it 
seems like section III.b along with Fig 1 gives enough information to 
fill in the Atoms window 
by hand.


On 08/08/2016 05:02 PM, Ed Han wrote:
> Dear All,
> In the upcoming fall, my research group plans on performing XAS studies
> observing the Hf L3-edge for various Hf-Al intermetallic samples.
> In preparation for the experiments, I am looking for CIF files of the
> various Hf-Al intermetallic systems, including HfAl3, HfAl2, Hf4Al3, etc.
> Upon scavenging through a multitude of crystallographic databases, I was
> not able to find any CIF files of Hf-Al intermetallics. However, I have
> acquired powder diffraction files (PDF) for said intermetallics.
> Seeing as how PDFs cannot be used in Artemis for EXAFS data analysis (to
> my knowledge), is there a way to convert PDFs into CIFs? I have attached
> one of the PDF files to demonstrate what information it contains.
> I would really appreciate your help!
> Regards,
> Edmund Han
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  Bruce Ravel  ------------------------------------ bravel at bnl.gov

  National Institute of Standards and Technology
  Synchrotron Science Group at NSLS-II
  Building 743, Room 114
  Upton NY, 11973

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