Faculty of Science, Agriculture & Engineering

X-ray Diffraction

X-ray Diffraction



X-ray diffraction (XRD) underpins techniques that can be used to characterise and investigate the properties of crystalline materials in the solid state, providing insight into the behaviour of materials, enabling the understanding of structure-function relationships. At Newcastle University we have capabilities to study materials using Single Crystal XRD and Powder XRD. In combination, these complementary techniques can greatly enhance the understanding of the structure and composition of any crystalline material, and can be performed on samples comprising both single crystals and bulk powders.
In particular, X-ray diffraction can provide:

  • Structural identification
  • Polymorph screening
  • Absolute configuration of chiral materials
  • Phase identification and quantification
  • Molecular geometry within the solid state
  • Identification of supramolecular interactions

In addition, further information can be gleaned by conducting X-ray diffraction analyses under non-ambient conditions. At Newcastle, we have extensive experience in the study of single crystal X-ray diffraction under high-pressure, temperature ranges of 2 – 500 K and under the irradiation of light.  This can provide invaluable insight into the stability of different crystalline materials under various conditions and the identification of novel polymorph phases. Furthermore, our powder diffraction facility has the capability to study materials under different gaseous vapours, providing further insights into material stability and reactivity.

Together these techniques can provide a comprehensive picture of the solid state properties of any crystalline material. If you are interested in working with us, please get in touch to discuss any potential contract work, or for one-off measurements.