Thinking a little outside of the crystallographic aspects, do you have element 
analysis data? Either XRF or ICP-MS would give a good guide to the sample 
composition, and it should match to the composition you are using in the 
structure model.

I find it is worth drying both the sample and spike before weighing them, as 
you can introduce some errors if one component likes to adsorb a lot of water 
from the air. And are you sure your spike is fully crystalline (95% or more), 
is intimately mixed with the sample and doesn't have massively different 
particle size to the sample?


-----Original Message-----
From: <> On Behalf Of 
François Goutenoire
Sent: onsdag 3. mars 2021 13.34
Subject: Hyper-Lorentzian effect on quantitative analysis

Dear Rietveld users,

I have some industrial compound presenting a strong hyper-Lorentzian peak shape 
(eta=1.1 with HighScore). When we calculate the amorphous content after an 
internal standard addition, the result is 40%. The micro-absorption effect has 
been minimized (mu of the internal standard is closed to the compound).

But with some electronic transmission analysis no amorphous is observed.

The question is : Does a strong hyper-Lorentzian peak shape could influence 
quantitative analysis ?


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