I need JCPDS file for Ag and Au Nanoparticles (NPs were synthesized using biomaterials). Literature says that for Ag NPs, JCPDS file no. is JCPDS file no. 04-0783, while for Au NPs it is 01-1174.
Is it OK if there is minor variation in the angles compared to the JCPDS file?
What do you mean about minor variations of the angles? Notice that the PDF cards are obtained with a particualr X-ray wavelenght. If you are using another wavelenght in your diffractometer yes, there would be variation. For example Ag card was obtained at 1.54056 A but diffractograms after Kalfa II stripping provide 1.5418 A, then there would be variation of some fractions of degree. Au PDF is obtained with 0.709 (Mo Kalfa), thus when converting to CuKalfa a major variation is observed in the peak positions. Other situation is when you actually get different positions that could come from instrumental variation (then you have to check the position calibration of the diffractogram) or from sample itself causes, such as stress. Good XRD textbooks are readily avaliable, such as Cullity or Giancovazzo.
These PDF cards are for Ag and Au, irrespective of whether they are nanoparticles.
Also, you should know that "JCPDS" is a very old name for this database. It is now referred to as the Powder Diffraction File and is maintained by the ICDD.
What do you mean about minor variations of the angles? Notice that the PDF cards are obtained with a particualr X-ray wavelenght. If you are using another wavelenght in your diffractometer yes, there would be variation. For example Ag card was obtained at 1.54056 A but diffractograms after Kalfa II stripping provide 1.5418 A, then there would be variation of some fractions of degree. Au PDF is obtained with 0.709 (Mo Kalfa), thus when converting to CuKalfa a major variation is observed in the peak positions. Other situation is when you actually get different positions that could come from instrumental variation (then you have to check the position calibration of the diffractogram) or from sample itself causes, such as stress. Good XRD textbooks are readily avaliable, such as Cullity or Giancovazzo.
Dear F. Caballero-Briones, I meant variation of some fractions of degree in my sample compared to JCPDS card.. your suggestions are really useful.
1- The card for Ag nanoparticle is the same for normal Ag
2- JCPDS is an old name for the database . Now the name is : ICDD PDF2 or ICDD PDF4 ( international center for diffraction data )
3- you can use an alternative database for the ICDD which is free online and easy to obtain : the crystallography open database ( COD )
http://www.crystallography.net/
in the attachment is the CIF file for Ag & Au ( card used in xrd to get hkl and matching your data )
Dear Natheer, thanks for your information and attachments. Could you please tell me which software I have to use to see these .cif files? Is it possible to send .pdf files??
@Mahesha Manjunatha Poojary
CIF ( crystallography information file ) can be viewed by many software like
1- crystal impact diamond
http://www.crystalimpact.com/download/diamond4/Diamond-4.0.0-Setup.exe
2- crystal impact match
3- a lot of crystallography software
hint : in the attachment a pdf file explaining how to use COD database and how to open CIF file with diamond software in Arabic language but you can follow the photos
Can any one provide me ICDD files for ZnO nanoparticles.? I will be thankful for this favor.
Also please, from where I can download the ICDD or JCPDS file.?
Again, there is no difference in the crystallography between nanoparticles and powders. So don't bother looking for a card for nano crystalline ZnO - it is the same as ZnO.
I notice that all the structures being asked for in this thread appear to be very simple structures and very standard materials. You can easily calculate these patterns from the known structure and known lattice parameters. Or, as others have already pointed out, you can look them up in the COD at crystallography.net
And yet again, the ICDD PDF/JCPDS files are not free, and they are not available online for download. You can contact the ICDD directly at www.icdd.com
Mahesha M. Poojary in this file you`ll find XRD diffraction of silver nanoparticles.
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