Structure & Diffraction

XRD

X-ray Diffraction

XRD identifies the crystalline phases in a material from the angles at which it diffracts X-rays. It is the standard test for phase identification, crystallinity and crystallite size.

5 test optionsPhase identification & purity2θ range typically 5–90°Typical turnaround 3–5 working days
XRD measurement principleIllustrative
X-ray tubeDetectorGoniometer circleIncident X-raysDiffracted X-raysPowder sampleDiffraction pattern
A crystal structure, read in anglesIllustrative
01 / Overview

What is XRD?

X-ray Diffraction directs a monochromatic X-ray beam, usually Cu Kα, at the sample while a detector moves through a range of angles. Crystal planes diffract the beam only at angles that satisfy Bragg's law, so each crystalline phase gives its own pattern of peaks.

Because the pattern is a fingerprint of the crystal structure, XRD tells apart phases and polymorphs of the same composition, which elemental methods cannot. It is non-destructive, needs little preparation, and one scan also gives crystallite size, strain and lattice parameters.

02 / How it works

How it works

  1. 01

    Sample is prepared

    Powder is ground fine and pressed flat into a holder, level with its rim.

  2. 02

    X-rays strike the sample

    A monochromatic X-ray beam meets the sample surface at a set angle θ.

  3. 03

    Planes diffract the beam

    Where Bragg's law is met, crystal planes reflect X-rays in phase and a peak appears.

  4. 04

    Pattern is matched

    Peak positions and intensities are compared with reference patterns to identify phases.

03 / What it measures

What it measures

Phase identification

Identify crystalline compounds from their peak positions.

Useful forMinerals, catalysts, ceramics, drugs

Crystallinity

Compare sharp crystalline peaks with broad amorphous humps.

Useful forPolymers, glasses, pharmaceuticals

Crystallite size & strain

Estimate size from peak broadening (Scherrer or Williamson–Hall).

Useful forNanoparticles, nanocrystalline powders

Lattice parameters

Refine unit-cell dimensions from accurate peak positions.

Useful forDoped materials, solid solutions

Phase quantification

Estimate the proportion of each phase, for example by Rietveld refinement.

Useful forMixtures, cements, battery materials

Polymorph screening

Distinguish different crystal forms of the same compound.

Useful forAPIs and fine chemicals
04 / Test options

Choose the XRD options you need

5 options · none added yet

XRD test options
05 / Sample requirements

Sample requirements

Accepted forms
Dry powders, pellets, bulk solids, films on flat substrates
Powder quantity
About 0.5–1 g; smaller amounts possible on a low-background holder
Solid size
Flat piece up to about 20 × 20 mm, under 5 mm thick
Particle size
Finely ground powder gives the best data (roughly under 45 µm)
  • Dry, finely ground powder
  • Flat, clean surface on solid pieces and films
  • Mention expected phases or composition if known
  • No liquids, gels or wet pastes
  • No toxic or reactive powders without discussing first

Hazardous or air-sensitive samples: mention it in your request, and attach the MSDS if you have one.

06 / Results & turnaround

Results & turnaround

What you receive

  • Diffractogram (intensity vs 2θ)
  • Peak list with d-spacings
  • Phase identification (with ICDD fitting)
  • Refined parameters (with Rietveld options)
  • Raw data files
  • Report PDF

Turnaround & pricing

Typically 3–5 working days after samples reach the lab.

Price confirmed in your quotation, depending on user type, options and number of samples.

Sample report · IllustrativeExample crystallite size≈ 24 nmIllustrative — not measured sample data
07 / Limitations

When XRD isn't the right fit

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