Skip to main content

Use our X-ray diffraction service

Discover the X-ray equipment available in the Physical Structure Characterisation Facility.

Single crystal X-ray diffraction

Single crystal X-Ray Diffraction (XRD) analysis is the definitive technique for determining three dimensional arrangements of atoms in a crystalline chemical compound.

An X-ray diffractometer

Single crystal XRD is useful for:

  • full structural analysis of single crystals such as geometric data, molecular packing, intra and inter-molecular interactions, contents of voids within the unit cell, and structural images
  • determination of absolute structure, with relevance for chiral and pharmaceutical compounds
  • analysis of air, moisture, and temperature-sensitive compounds with a controllable temperature range of 100 K to ambient (data is typically collected at 150 K)
  • phase transition studies
  • fibre analysis
  • PXRD measurements using the 2D detector

Our X-ray diffraction equipment

  • RIGAKU Oxford Diffraction SuperNova, Dual source (Mo and Cu, 0.71073 Å and 1.5418 Å) detector EosS2
  • RIGAKU Oxford Diffraction Xcalibur (Mo) detector EosS2, with the data processing software CrysAlisPro

'We were experiencing blockages in the system pipes and pumps of our sewage treatment works due to mineral scaling, so we decided to have the mineral samples sent to the University of Bath’s MC² facility [Physical Structure Characterisation Facility] for analysis using X-Ray Diffraction. The mineral composition was successfully identified as struvite, which assisted us in devising a scaling prevention strategy to protect our sites’ pipes and pumps.' — Wesley Wong, Technical Manager, GENeco, UK

Powder X-ray diffraction

Powder X-ray diffraction (PXRD) can be used to confirm compound identity and determine the presence of crystalline impurities.

PXRD is useful for:

  • quick determination of whether a powder is crystalline or amorphous
  • phase identification
  • high-resolution PXRD for Rietveld refinement
  • analysis of foils, ceramics, membranes, and thin films
  • non-ambient temperature studies in capillary down to 100 K and up to 950 °C
  • humidity measurements
  • analysis at grazing angle

Our powder X-ray diffraction equipment

We have a STOE STADI P double setup with Mythen detectors using Cu-Kα1 radiation, with the data processing software WinXPOW, with two independent working areas:

  • one for transmission or Debey-Scherrer geometry (for tiny amounts of powders wedged in between foils or powder samples in capillaries)
  • one in flatplate or Bragg-Brentano geometry (for thin films or coarse materials)

Small-angle X-ray scattering

Small-angle X-ray scattering (SAXS) is a method used to investigate the structure of materials at the nanoscale.

We host a SAXSpoint 2.0 instrument by Anton-Paar that is equipped with copper and molybdenum sources (1.542 Å and 0.7107 Å, 50 W), and a 2D EIGER R series Hybrid Photon Counting (HPC) detector. Solid and liquid samples can be measured in a variety of sample holders with temperature control.

Further information about X-ray diffraction

Read examples about how we've used X-ray diffraction techniques.

Contact us

If you have any questions, please get in touch.