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X-Ray Crystallography

The X-Ray Crystallographic Facility of the Department of Chemistry conducts X-Ray structure analysis of small-molecule organic or inorganic single crystals submitted primarily by the department. As an extension service, the facility also accepts sample submissions from other departments of the university, and from outside of the university campus.

The equipment available for X-ray Diffraction experiment include:

  • Computer-controlled Nonius KappaCCD System
  • Oxford Cryostream Variable Temperature Apparatus
  • Computers for structure solution and refinement
  • On-line searching facility for crystallographic (CCDC) through Marriott Library


  • Advice on crystallization of diffraction quality crystals
  • Mounting of crystals, include air, moisture and temperature sensitive samples
  • Determination of crystal system, space group and unit cell parameters
  • Accurate data collection at room or low temperature
  • Data reduction and absorption correction
  • Structure solution and refinement
  • Preparation of high quality molecular plots
  • Detailed report with tables of coordinates and molecular geometry
  • On-line searching facility for crystallographic (CCDC) through Marriott Library

To submit crystals for structure analysis:

  • Download, fill out this form and bring it to the Facility together with the crystals


How to Grow Crystals
Crystallography 101
All about SHELXL
Cambridge Structural Database (CCDC)


Ryan VanderLinden 
GH 1472

Last Updated: 6/3/21