It is not at all possible. It is better to get elemental composition data from XRF or any other suitable methods.

Attah Fakeye

Determine the content of the various phases using the XRD from the peak area. Look at the chemical formulas and calculate the elemental composition.

Attah Fakeye

Hi, you can identify phases by identifying the peaks of XRD analysis and comparing them with different libraries.

It is not at all possible. Match sofware show the % of elements which are not very accurate. However , you can try it.

http://www.crystalimpact.com/match/

For knowing systems yes. For many alloys, the variation of lattice parameters with composition is known. Also, throughout thermal transitions values obtained by DTA and phase diagram. But I coincide with my colleagues that these indirect methods are not as accurate as XRF.

XRD is not a substitute for XRF. If you've done quantitative phase analysis, you can calculate the elemental composition, assuming the structures you used in your analysis are correct. That can be compared to your real elemental analysis to get a complete picture of what is going on.

Hello Attah,

You can only do a Semi-quantitative analysis for the percentage of the minerals in your sample.

If you are using a D2 Phaser benchtop X-ray diffractometer from Bruker and DIFFRAC.EVA software, follow the following steps to derive mineral percentages:

1. Background noise caused by various factors, e.g., inelastic scattering, electron noise, etc [Suevalov and Kaplan, 2005] are removed using the "background subtraction" function from EVA software .

2. Kα2 are removed using the "strip kalpha2" function.

3. Displace all the peaks using the "displacement" function based on the quartz peaks in the sample. This step is required because the software needs to be able to distinguish patterns and match the sample peaks with reference data/library.

4. Using “match/search” function you compare the dust sample data to a database of minerals to identify peaks in the sample.

5. The height of the largest peak of each mineral in the sample is matched with its corresponding standard height from the library.

6. Using the “S-Q” function, mineral percentages (abundances) are determined for the sample.

Hope this helps,

Hello Attah,

as mentioned before, the best way is to have an additional XRF analysis on the same material. One good way to quantify the mineral phases after a PhaseID would be to execute a quantitative Rietveld analysis. After that, you can back-calculate the chemical composition of your sample. The drawback of XRD however is that you only see the crystalline percentage of your sample. But using an internal or external standard you can in addition determine how much amorphous phase you have in total.