X-ray Diffraction

The x-ray Diffraction laboratory has tools for studying surface layers or thin film structures, single crystals, powders, and solids. Information about crystallites, absolute stereochemistry, domain sizes, defects, surface thickness and roughness, and chemical composition may be obtained. Instruments can perform x-ray diffraction in reflection and transmission geometry, grazing incidence x-ray diffraction (GIXRD), and x-ray reflection (XRR).

  • X-ray diffraction measurements for crystals, powders, and thin films
  • Hands-on education in the use and application to assess structural properties of thin films, solids, and nanoparticles
  • Bench and fume hood space to prepare the samples
  • Collaborative research opportunities
  • Data interpretations and recommendations
  • Full-service and self-service options
  • Support in academic courses
  • Specialized workshops

Powder

  • Bruker D8 Discover DaVinci: Precise and non-destructive x-ray analysis that affords qualitative and quantitative phase analysis, and characterization of various properties including: particle size, strain, and stress of polycrystalline samples. Cu Kα radiation, LYNXEYE-XE-T energy discriminating detector, nine position sample changer with Phi rotation, and Electrochemical cell for in situ experiments. On request, the system stage can be changed to a HTK-1200N variable temperature stage (25-1200 K).

Thin Film

  • Bruker D8 Discover Series II: Precise and non-destructive X-ray diffraction analysis of thin films and multi-layered structures. Parabolic Göbel mirror and ¼-circle Eulerian cradle. Measurement types include:
    • X-ray Reflectivity (XRR) – determination of thickness, density, or roughness of thin films and multilayers
    • Grazing Incidence Angle X-ray Diffraction (GIXRD) – low incident angles maximize the signal from thin layers as well as offering depth profiling of the phase composition of layers
    • Residual Stress and Texture Analysis of thin films

Single Crystal

  • Bruker D8 Advance QUEST: Non-destructive technique that provides precise information about 3-D molecular and crystal structures of small molecule single-crystals. Located in CHEMR.
    • Mo Kα radiation
    • Provides detailed information about the internal lattice of crystalline substances unit cell dimensions, bond lengths, bond angles, and details of site-ordering
    • Features a Photon 50™ CMOS detector which is capable of high-speed data collection in shutterless operation mode
    • Equipped with a Oxford Cryostream system to set experiment temperatures from 80-400 K.
    • Can perform low temperature PXRD of powders in a capillary. Note- the spacing in 2θ will be smaller and resolution will be reduced.
  •  
  • WebCSD
    • Accessible from any computer on CSU network through browser!
    • >1.2 million searchable crystal structures
    • Entries linked to publications
  • XRD Workstation Computer
    • Desktop available to ARC User for a variety of XRD related work
    • Connected to PXRD and TFXRD computer hard drives
    • PC can be used remotely on request
    • Gain access to full licenses of powerful x-ray analysis tools and extensive databases
    • Connect with Ethan Crace to gain access to Workstation
  • ARC XRD Software Available on XRD Workstation

For Training on self-service instruments:

  • Request to join the ARC User Team by clicking here
  • Please read our ARC user guidelines and take the necessary quizzes.
  • Then follow the training and user instructions on the XRD Training.

Training has a minimum charge of one hour of instrument and staff time.

Rates can be found here

Please use the iLab Portal to request a formal quote for equipment use or services.

Expertise

Dr. Ethan Crace – Crystallography and X-ray Diffraction Expert

Dr. Crace, trained as a synthetic chemist and crystallographer at Stanford University (PhD) and Duke University (Postdoc), offers nearly a decade of experience in crystallography, specializing in single-crystal work. He can assist with every stage of the single-crystal process, from crystallization and crystal selection to data collection and routine or complex structure solution, including disordered structures and twinned datasets.

Dr. Crace can also facilitate access to advanced x-ray techniques and specific equipment not available at CSU, connecting researchers with experts at synchrotrons and other institutions for small-angle x-ray scattering, high-resolution powder XRD, and more. For assistance with x-ray diffraction experiments or connections to external resources, contact Dr. Crace.

Additional Information

checkCIF

X-ray Data Booklet

International Tables for Crystallography

International Centre for Diffraction Data – Tutorials

Suggested Readings

High Resolution X-ray Scattering from Thin Films and Multilayers,V. Holy, U. Pietsch, T. Baumbach, Springer Tracts in Modern Physics

Residual Stress Measurements by Diffraction and Interpretation , I.C. Noyan, J.B. Cohen, Springer-Verlag

High Resolution X-Ray Diffractometry and Topography D. K. Bowen , B. K. Tanner, Taylor and Francis

Acknowledgment of facility contributions is expected in publications that include any data generated in the facility. Please cite us by our Research Resource ID (RRID:SCR_021758).

An example of an appropriate acknowledgment is:

“The authors wish to thank the Analytical Resources Core (RRID: SCR_021758) at Colorado State University for instrument access, training, and assistance with sample analysis”

 

SCXRD Co-Authorship Policy
Data Management Policy

Scientific Staff:

Dr. Ethan Crace: Small molecule X-ray crystallography, X-ray diffraction services, training, and class support.

 

 

Bruker D8 Discover DaVinci Powder X-ray Diffractometer (PXRD)
Bruker D8 Discover thin film X-ray Diffractometer (TFXRD)
Bruker D8 Quest single-crystal X-ray diffractometer (SCXRD)