X-Ray Facility

X-Ray Facility

Single X-Ray Diffraction:

The X-ray facility in the Chemistry Department at Mississippi State University hosts a Bruker D8 Venture providing a state of art platform for small and medium sized molecule analysis by X-ray diffraction using dual wavelength combinations for chemical and protein crystallography. This dual microfocus source (copper/molybdenum) system is equipped with a three-circle fixed chi at 54.7˚ sample stage goniometer, providing an open geometry, allowing easy mounting of additional crystal-conditioning devices for in situ experiments.

A motorized 2nd generation Photon 100 CMOS detector capable of shutter-less data collection allows for full analysis in one hour or less for a well diffracting sample. The system is also equipped with the latest version of nitrogen liquid cooling system, the Cryostream 800 from Oxford Cryosystems, allowing variable temperature experiments from the range of 90 to 300 K. This state-of-the-art multipurpose system is primarily designed for the analysis of small and medium sizes organics and organometallics molecules but can be used for crystallized samples ranging from minerals to macromolecules.



List of some experiments and analyses can be performed:

  • Single X-ray diffraction analysis using Copper or Molybdenum  X-ray radiation.
  • Fast crystalline phase identification using the Cambridge Data Bank; CCDC.
  • In-situ X-ray experiments under irradiation: UV.
  • Variable measurement temperatures in the range : 90 to 300 K, for phases transitions determination.
  • Characterization of enantiopure organic or organometallic molecules by absolute configuration determination.

Powder X-Ray Diffraction:

A fully integrated powder diffraction system, the AXRD Benchtop from PROTO Manufacturing, is available for x-ray powder analysis. This system provides highly accurate and reliable measurement results comparable to the full-sized laboratory units. Capable of state-of-the-art high-speed data collection and equipped with a powerful hybrid photon-counting detector, the DECTRIS MYTHEN2.R.1D, allows the collection of low-resolution scans in few minutes, high-resolution scans in 15 minutes, and one hour for very-high resolution scans. Three scan modes are available:

  • Coupled θ/2θ; (Bragg Brentano configuration)
  • Decoupled θ/ θ for Rocking Curve
  • Decoupled θ/2θ for reflectivity studies, grazing incidence and thin films analysis

In addition, a six-position sample changer, an airtight sample holder for environment-sensitive samples and a variable temperature chamber for in situ temperature experiments can be used.


List of some experiments and analyses can be performed:

  • Crystalline phase identification and quantification.
  • Search/match against COD and ICDD databases: ICDD, PDF-4+ 2020 is available in the department.
  • Quantitative phases analysis.
  • Whole-pattern fitting (Lebail/Pawley and Rietweld refinement methods).
  • Determination of the ratio of crystalline to amorphous material in bulk materials and thin films.
  • Measurement of average crystallite size strain.
  • X-ray reflectivity: grazing incidence at low angle as low as 1˚ (surface studies and layers) and rocking curves (crystal defects study, mosaic spread, inhomogeneity, etc.).