How can I estimate the atomic ratio of elements from the XRD data?

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Does anyone know to clarify these changes?

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How to calculate the crystallinity of cellulose film?

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How to replicate the well conditions of a crystal hit with 20%(w/v) isopropanol?

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Randi Azmi

Dear John,

I recommend to read this article.

Good luck

Article Synthesis of Titanium Diboride TiB2 and Ti–Al–B Metal Matrix...

This one also.

Conference Paper In-Situ Synthesis and Characterization of TiB2 and Ti-Al-B Composites

Gert Nolze

I am puzzled... You have the phase identified by XRD data which tells you it is TiB2. If this is correct you already have the Ti:B ratio, it is 1:2. Since I cannot believe that this is your real question, can you try to describe what you are really interested in?

Saju John

Thanks Dear Randi Azmi for the useful related links.

Dear Gert Nolze, I purchased a commercial TiB2 sample and want to check whether the ratio is 1:2. Now I have the XRD spectrum and I assigned the lattice planes to different peaks referring some published articles.

Okay, No problem.

Good luck.

I still do not get it. It is a stochiometric phase. If you can identify this phase , and there is no other phase (detection limit is commonly 2%), the experimentally ratio is 1:2. XRD does not have this precision or accuracy to discover smaller deviations from stochiometry. Differences in peak height (or rather intensity) are related to other experimental limitations (texture, misalignments, amorphisation during sample prep etc) and do not correlate to the stochiometry.