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

2016-08-08 Thread Ed Han
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.

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

2016-08-08 Thread Ed Han
the designated crystal. For example, I have attached a CIF file of SiO2 that I have found; however, the 3D representation only has 1 Silicon atom and 1 Oxygen atom. Do you have any insight on this disparity? Regards, Ed Han 9000775.cif Description: Binary data

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

2016-08-09 Thread Ed Han
I see. Thank you for the insight! Is it possible to create the same .inp or .cif file in FEFF6 (or any of the FEFF versions) as well? Or is the ATOMS program the most recommended software to perform this task? Regards, Ed Han On Mon, Aug 8, 2016 at 5:12 PM, Carlo Segre <se...@iit.edu>