Mix phase Rietveld Refinement

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In summary, the speaker is using Xpert Highscore Plus for Rietveld refinement of XRD patterns. They are concerned about the weight fractions and lattice parameters, and are struggling with differentiating between a primary and secondary phase due to close peak values. They are seeking advice on how to properly refine the results.
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zixue
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Hi guys,

I am using Xpert Highscore Plus to carry out a Rietveld refinement for my XRD pattern.
I am looking at the lattice parameters and weight fractions.
I am fine with the phase identification. However, it tends to show that my secondary phase (MgO) has higher weight fraction than the primary (MgB2) after Rietveld refinement. I suspect the main peaks of these 2 phases are too close to each other which the program cannot differentiate properly as the primary phase should be in much higher weight fractions. How should I refine it then? Please advise.

Thanks guys.
 
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1. What is "Mix phase Rietveld Refinement"?

"Mix phase Rietveld Refinement" is a technique used in crystallography to analyze mixtures of crystalline phases. It involves fitting a Rietveld model to experimental data, which allows for the determination of the relative amounts of each phase present in the mixture.

2. How does mix phase Rietveld Refinement differ from traditional Rietveld Refinement?

Traditional Rietveld Refinement is used for the analysis of single-phase materials, while mix phase Rietveld Refinement allows for the analysis of mixtures of crystalline phases. This is achieved by incorporating additional parameters into the Rietveld model to account for the presence of multiple phases.

3. What type of data is needed for mix phase Rietveld Refinement?

Mix phase Rietveld Refinement requires experimental data such as X-ray or neutron diffraction patterns, along with information about the chemical composition of the sample. This data is used to create a Rietveld model, which is then refined to determine the relative amounts of each phase present in the mixture.

4. What are the main advantages of using mix phase Rietveld Refinement?

Mix phase Rietveld Refinement allows for the analysis of complex mixtures of crystalline phases, which would not be possible with traditional Rietveld Refinement. It also provides more accurate results compared to other techniques such as peak fitting or pattern matching.

5. Can mix phase Rietveld Refinement be used for non-crystalline materials?

No, mix phase Rietveld Refinement is specifically designed for the analysis of crystalline materials. Non-crystalline materials do not have a regular atomic arrangement, making it difficult to create a Rietveld model for refinement.

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