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XRD

What is XRD?

XRD (X-ray Diffraction) is an analytical technique used to identify and characterize crystalline materials. When X-rays interact with a crystal lattice, they produce a diffraction pattern that acts as a unique “fingerprint” of the material’s crystal structure and phase composition.

XRD is widely used for phase identification, polymorph analysis, crystallinity evaluation, and material comparison in fields such as semiconductors, metals, ceramics, batteries, pharmaceuticals, and advanced materials.

What XRD Can Help You Solve

  • Phase identification of unknown crystalline materials (single or mixed phases)

  • Polymorph discrimination (different crystal forms of the same compound)

  • Crystallinity assessment (crystalline vs amorphous fraction trends)

  • Process and heat-treatment evaluation (phase transformation after processing)

  • Contamination/root-cause support (unexpected crystalline phases, corrosion products)

  • Batch-to-batch comparison for QC and supplier qualification

Typical Applications

  • Powders & ceramics: phase ID, impurity phases, sintering effects

  • Metals & alloys: phase composition, precipitates (project-dependent), oxidation products

  • Battery materials: cathode/anode phase checks, degradation-related phases (project-dependent)

  • Semiconductor & thin films: crystal orientation/texture trends (project-dependent)

  • Pharmaceuticals: polymorph screening, salt/co-crystal verification (project-dependent)

  • Minerals & geology: mineral identification and mixture analysis

Capabilities & What You Receive

Common XRD Outputs

  • Diffraction pattern (2θ vs intensity)

  • Phase identification via database matching (project-dependent)

  • Peak position and intensity analysis for comparison and trend monitoring

  • Optional (project-dependent):

    • Crystallite size/strain estimation (e.g., Scherrer-based trend)

    • Preferred orientation (texture) indicators

    • Semi-quantitative phase fraction estimation (mixtures; method dependent)

Deliverables

  • XRD plot(s) with peak labeling (as applicable)

  • Identified phase list and key reference matches (project-dependent)

  • Comparison overlay plots (optional) for multiple samples

  • Clear interpretation and conclusions tied to your goal (phase ID, polymorph, comparison)

Sample Requirements

  • Preferred sample form: powders are easiest; small solid pieces may be accepted depending on geometry

  • Typical amount: often ~0.1–1 g powder (less may be possible)

  • Preparation tips: fine, homogeneous powder improves pattern quality; avoid moisture uptake if sensitive

  • Thin films: provide substrate type, film thickness (if known), and measurement goal (phase vs texture)

  • Information to provide: expected materials, target phases/polymorphs, processing history, and any reference sample

Workflow

  1. Requirement review (phase ID vs comparison vs polymorph; powder vs film; acceptance criteria)

  2. Sample preparation (mounting, grinding guidance as needed)

  3. Measurement setup (scan range, step size, speed, geometry)

  4. XRD data acquisition

  5. Data analysis (peak finding, database matching, overlays, interpretation)

  6. Reporting (plots + phase summary + conclusions)

FAQs

XRD can identify crystalline phases present above practical detection limits, but minor phases or amorphous components may be difficult to resolve—especially in complex mixtures.

Semi-quantitative phase estimation is possible in some cases, but accurate quantification often requires specialized methods (e.g., Rietveld refinement) and suitable reference standards.

Amorphous materials typically show broad features rather than sharp peaks. XRD can still help assess crystallinity trends or detect any crystalline contaminants.

Yes, film measurements are possible (project-dependent). Provide substrate information and film thickness if known, and specify whether you need phase ID or texture/orientation evaluation.

XRD identifies crystal structure and phases. Raman/FTIR focus on molecular bonds and functional groups. They are complementary, especially for polymorph and contamination studies.

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