Hi dear all
I have XRD pattern for a sample with different composition, just like for example as follow:
A1.5B0.5C
A1.4B0.6C
A1.3B0.7C
B is a dopant placed at “A” site. Now, I want to compare the lattice parameter of each composition to investigate the effect of the dopant on the crystal structure. I can get the d-spacing but I don’t know how to generate the hkl values from the XRD patterns. Would you please help me how can I solve this issue?
Thank you in advance
First try to get the crystals lattice parameters from single crystal xrd. Later substituting the data in a old software called index, u can get a list the values of hkl for that corresponding lattice parameters. comparing the theta values we can identify the hkl value. Index is a free source software to.
You need to perform a indexing of your pattern. Several software can do that
Refer my answer on ResearchGate. You will find answer of your question.
Dr. Natale Perchiazzi , would you please suggest me a free and more convenient software for this issue? Thanks again.
Fuead Hasan
, both the links you putted are unreachable. Would you please attach it again? Thanks
Dear Yosef,
you can try these; I used them and appreciate:
http://www.ccp14.ac.uk/ccp/web-mirrors/dicvol/
or
http://www.ccp14.ac.uk/ccp/web-mirrors/lmgp-laugier-bochu/
best NP
Thank you so much Dr. Natale Perchiazzi for your immediate response.
if your crystal database is cubical structure, you can see the attachment in the add files below.
Here is a method may help you, https://www.researchgate.net/publication/339363196_Match_XRD_data_with_JCPDS-_A_method_2020/stats
For just hkl with d-spacing and 2-theta basic analysis, try Crystalsim.
It simulates all possible {hkl} planes.
https://sourceforge.net/projects/crystalsim/
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