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Powder X-ray Diffractometer: Theory and Lab banner

Powder X-ray Diffractometer: Theory and Lab

Powder X-ray Diffractometer: Theory and Lab banner
Self-paced Beginner

Powder X-ray Diffractometer: Theory and Lab

4(12)
2 enrolled
1297 views
FREE
10 min
Anytime
English
1297 views
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What enrolled engineers say

2 verified reviews
  • May 3, 2026

    Used this to sanity-check assumptions our team had locked in before touching prod data, and it did that job. The Bragg–Brentano geometry section plus the NaCl peak indexing lab stuck; seeing how mis-set zero shifts fake symmetry was useful, and I’ve already noted it back in our repo and obs docs. It's beginner-paced, mostly fine, though I wasn't sold on how fast Rietveld refinement was skimmed, especially for pharmaceutical polymorphs. came out with cleaner opinions on what to trust, not just more slides.

    Dr Surekha P. · R & D | Drilling & Completion Fluid I Catalysis I Analytical Chemistry I Material Science I LLM Trainer Verified
  • May 3, 2026

    Needed a clearer mental model of what’s happening inside the box, not just which buttons to press, and this course mostly hit that for a beginner. The moment that stuck was the walk-through of Bragg’s Law tied directly to the zero‑shift correction demo in the lab, where you tweak the offset and watch peaks drift in real time. The Debye–Scherrer ring indexing section felt like reading arch diagrams for infra; once I saw how scan rate (they even call out RPS) messes with peak width, my lab notes got tighter and my obs actually lined up. I wasn't sold on the Rietveld intro—it moved fast, and I wished there was a quick checklist or a repo-style summary I could PR into my notebook later. it’s already helped when talking through polymorph ID in a pharma context, especially when someone asks why a setting isn’t prod-safe yet. I’ve got better language now to defend choices without hand-waving.

    Md Minhajul I. Verified

Is this course for you?

You should take this if

  • You work in Pharmaceutical & Healthcare
  • You're a Chemical & Process / Metallurgy & Material Science professional
  • You prefer self-paced learning you can revisit

You should skip if

  • You need a different specialisation outside Chemical & Process
  • You need live interaction with an instructor

Course details

  1. Understanding the Fundamentals of PXRD:

    • Grasp the principles of X-ray diffraction and Bragg’s Law.

    • Learn how crystalline structures diffract X-rays to produce characteristic patterns.

  2. Instrument Familiarity:

    • Explore the components and working principles of a powder X-ray diffractometer.

    • Understand the operation of X-ray sources, detectors, and goniometers.

  3. Sample Preparation and Measurement:

    • Develop skills for preparing samples to ensure reliable diffraction results.

    • Execute diffraction experiments to collect accurate and reproducible data.

  4. Data Analysis and Interpretation:

    • Analyze PXRD patterns to identify phases, measure lattice parameters, and calculate crystallite size.

    • Use software tools for peak fitting, phase identification, and structural refinement.

  5. Applications in Material Science:

    • Correlate PXRD results with material properties.

    • Investigate phase transitions, crystallinity, and residual stresses in materials.

      Source: NPTEL NOC IITM

      Prof Dr Angshuman Roy Choudhary, Dept of Chemical Sciences, IISER Mohali

Course suitable for

Key topics covered

  1. Principles of X-ray diffraction and Bragg’s Law.

  2. Instrument Familiarity: Components and working principles of a powder X-ray diffractometer. Understanding the operation of X-ray sources, detectors, and goniometers.

  3. Sample Preparation and Measurement:

  4. Data Analysis and Interpretation:

  5. Applications in Material Science:

Course content

The course is readily available, allowing learners to start and complete it at their own pace.

2 lectures10 min
  1. X-ray Diffractometer- Theory
    5 min
  2. XRD- Lab
    5 min

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Questions and Answers

A: 0.10° is the threshold here. Zero offset is an additive angular error in 2θ, not scaled by d-spacing or wavelength. At 28° 2θ, the diffractometer geometry doesn’t attenuate it. Back-of-envelope: whatever offset you dial in shows up nearly one-for-one in peak position, especially at low-to-mid angles. That’s why even small zero errors matter during phase ID.

A: 15° is the boundary that trips people. Bragg’s law uses θ, not 2θ. d = λ / (2 sinθ) = 1.5406 / (2·sin15°). Sin15° ≈ 0.259, giving d ≈ 2.98 Å. Using 30° instead doubles the sine and collapses d by mistake, a common lab error when you’re moving fast.

A: Plate-like particles are the trigger here. Side-loading disrupts alignment by filling laterally rather than normal to the surface. High-pressure pressing drives plates to lie flat. Grease adds amorphous background and can dissolve organics. Single crystal mounts defeat the whole point of powder averaging.

A: 640 is the number that matters. NIST SRM 640 silicon has a certified lattice parameter and narrow peaks, making it suitable for angle calibration. Alumina is phase-variable by grade. NaCl hydrates and shifts. Glassy carbon is used for background checks, not angle accuracy.