SCS Microcharacterisation

• Rigaku XtaLAB Synergy-S Single Crystal X-ray Diffractometer with Cu and Ag sources (SC XRD)
• PANalytical Empyrean X-ray Diffractometer with Cu Kα source (XRD)
• Agilent 7010B Triple Quadrupole GC/MS
• Agilent 6460C Triple-Quad LC-MS
• Agilent 7890A GC + 5975 EI-IS with Agilent auto-sampler
• Thermo Orbitrap Exploris 120
• Benchtop XRD Rigaku MiniFlex II

X-ray Diffraction is a non-destructive analytical technique that provides detailed information about the internal lattice of crystalline substances.

Our XtaLAB Synergy-S single crystal diffractometer is equipped with:

• Cu and Ag Kα X-ray sources, providing data collection to an accuracy of up to 0.80 or 0.35 Å, respectively
• Pilatus 200K hybrid photon detector
• Oxford Cryostream, which allows measurement temperatures from 90 K to room temperature under a mixed dry air/nitrogen flow.

Our service includes:

• Data collection and structure determination
• Single-crystal X-ray diffraction measurements for precise determination of a unit cell, including cell dimensions and positions of atoms within the lattice. Bond-lengths and angles are directly related to the atomic positions.

Sample requirements:

• Suitable for small molecule crystals or extended structures, with small protein crystals being possible
• Optimum sample is an untwinned crystal with a size of 50-150 microns, with smaller sizes possible
• Oxygen/moisture sensitive samples are possible
• Power diffraction is possible on special request if you have insufficient sample to use the powder diffractometer.
  

Our PANalytical Empyrean diffractometer is equipped with:

• Cu Kα X-ray source
• PIXcel 1D detector
• Add-on modules allowing high temperature measurements up to 1000°C as well as X-ray reflectivity measurements for thin films.

Please note: This is a self-use instrument that requires safety training before access can be given. Contact the X-ray technician at the bottom of this page to request training.

Instrument capabilities:

• Powder X-ray diffraction for phase identification of materials including minerals and Rietveld refinement for crystal structure determination
• Crystallinity measurement
• Clay minerals or 3-stage XRD scan - i) air dried, preferred orientation ii) glycolated and iii) heat-treated samples
• XRD for non-ambient, high-temperature phase shift measurements - the collection of data up to 1000°C
• X-ray reflectivity for thin films
• Adjustable XYZ sample stage for diffraction measurements of irregularly shaped samples up to 100 mm x 100 mm x 100 mm in size, with a weight limit of 1 kg.

Sample requirements:

• Approximately 1g of sample is normally required; however, samples as small as 50 mg can be possible using a Si-based zero background holder
• Ambient sample conditions; therefore, oxygen/moisture-sensitive samples would need special sample preparation by the user.

For more information on equipment and services, visit Infinity X: Research platforms.

Contact the relevant technician listed below for enquiries. We are also able to provide training to use the equipment requested. 

For Infinity X information and support, visit Infinity X booking and billing tool. 

Technical contacts

• For enquiries about XRD, email Dr Timothy Christopher
• For all other equipment enquiries, email Jagdish Jaiswal

Academic contact

• Academic lead XRD: Professor Tilo Söhnel