Single crystal X-Ray Diffraction (XRD)

Single crystal XRD analysis is the definitive technique for determining three dimensional arrangements of atoms in a crystalline chemical compound. Single crystal XRD is useful for:

  • Full structural analysis of single crystals: 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/temperature sensitive compounds with a controllable temperature range of 90 K to ambient
  • Phase transition studies
  • Fibre analysis

Our equipment: RIGAKU SuperNova Dual (Mo and Cu radiation) and RIGAKU Xcalibur (Mo radiation)

Powder X-Ray Diffraction (PXRD)

PXRD can be used to both 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, thin films
  • Non ambient temperature studies up to 950°C
  • Non ambient temperature studies down to 100 K
  • Humidity measurements

Our equipment: STOE STADI P (Cu radiation) Double setup in transmission and reflection mode

Case studies

Helping to maintain waste water pipes using X-ray diffraction for Wessex Water

Browse our X-ray crystallography library to learn more about the methods we use.