How to Address High Weight Fraction of Secondary Phase in Rietveld Refinement?

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Discussion Overview

The discussion centers on the challenges faced during Rietveld refinement of XRD patterns, specifically regarding the high weight fraction of a secondary phase (MgO) compared to the primary phase (MgB2). Participants explore potential reasons for this observation and seek advice on refinement strategies.

Discussion Character

  • Technical explanation, Debate/contested, Experimental/applied

Main Points Raised

  • One participant notes that the Rietveld refinement shows a higher weight fraction for MgO than expected for MgB2, suggesting that the close proximity of their main peaks may hinder proper differentiation by the software.
  • The same participant expresses uncertainty about how to refine the results given this issue and requests advice from others.
  • Subsequent posts consist of requests for help and follow-ups without additional technical contributions or clarifications.

Areas of Agreement / Disagreement

Participants have not reached a consensus on how to address the issue of the high weight fraction of the secondary phase, and the discussion remains unresolved.

Contextual Notes

The discussion lacks detailed assumptions about the refinement process, potential software limitations, or specific methodologies that could be employed to improve the differentiation of phases.

Who May Find This Useful

Researchers and practitioners involved in XRD analysis and Rietveld refinement, particularly those dealing with phase identification and weight fraction determination in complex materials.

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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