The mass faction and volume fraction is same thing. I calculate the the Percent volume fraction by XRD data with the help of formula.
(CuTl-1223) % = × 100
(CuTl-1234) % = × 100
(CuTl-1212) % = × 100 ……….. (1)
(Unknown impurity) % = × 100
Dear friend Yaseen Muhammad
Rietveld analysis is a powerful method for determining the crystal structure and phase composition of materials from X-ray diffraction (XRD) data. However, it cannot directly provide the mass fractions of individual phases.
To estimate the mass fractions, additional information is needed, such as the densities of the individual phases and the total mass of the sample. The mass fraction of a phase is equal to the volume fraction of the phase multiplied by its density. The volume fraction of a phase can be calculated from the Rietveld analysis by dividing the integrated intensity of the diffraction peaks from that phase by the total integrated intensity of all phases in the sample.
Once the volume fractions of the individual phases are determined, the mass fractions can be estimated using the following formula:
Mass fraction = Volume fraction x Density
The densities of the individual phases can be obtained from the literature or by experimental measurements such as Archimedes' principle or pycnometry.
It is important to note that the estimated mass fractions obtained from XRD data may not be very accurate due to various factors such as preferred orientation, peak overlap, and other instrumental and experimental factors.
References:
1. Cullity, B. D., & Stock, S. R. (2001). Elements of X-ray diffraction (3rd ed.). Prentice-Hall.
2. Young, R. A. (1995). The Rietveld method. Oxford University Press.
Salam Yaseen.
Can you post your XRD data and calculation?
I can help you measure the weight ratio of the phases.
Weight ratio and volume ratio of the phases are not the same.
there are many factors that control this calculation, including the relative peaks intensity, phase composition, atomic density, X-ray absorption factor, scan range, and RIR value for each phase (Reference Intensity Ratio)
this is one of the quantitative analysis methods
https://www.icdd.com/assets/tutorials/Quantitative-Analysis-RIR.pdf
Dear Yazan Maswadeh,
W.salam
How is the procedure to send you XRD data.
I will send you by via email and will send you origin file?
Thanks alot dear sir
you can attach the work file with your answer or send it as a direct message 👍
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