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Basics of X-Ray Powder Diffraction
Training to Become an Independent User of the X-Ray SEF at the Center for Materials Science and Engineering at MIT
Scott A Speakman, Ph.D. speakman@mit.edu (617) 253-6887 http://prism.mit.edu/xray

Required Training to Become an Independent User in the X-Ray SEF

Required Safety Training
• • • • All users must complete the EHS X-ray Safety training All users must complete the X-ray Lab Specific Safety Training All users must complete the MIT chemical hygiene training All users must be up to date on their MIT managing hazardous waste training • All users must be registered in CMSE MUMMS
– https://cmse-coral.mit.edu/mumms/home.html

Instrument Specific Training
• These courses cover how to safely operate instruments to collect data • Powder Diffractometers:
– PANalytical X’Pert Pro Multipurpose Powder Diffractometer – Rigaku High-Power Powder Diffractometer – Bruker D8 with GADDS 2-dimensional detector

• Other instruments
– Bruker D8 HRXRD – XRF

Data Analysis Workshops
• Basic XRPD Data Analysis using HighScore Plus
– Primary focus is on phase identification, with some discussion on advanced topics such as lattice parameter and crystallite size calculations

• Profile Fitting and Crystallite Size Determination
– Profile fitting is the most precise way to determine diffraction peak position, intensity, and width for calculating lattice parameters and crystallite size

• Rietveld Refinement
– The Rietveld method is used to refine the crystal structure model of a material. It can be used for quantitative phase ID, lattice parameter and crystallite size calculations, and determine atom positions and occupancies

High Resolution X-Ray Diffraction (HRXRD) Training
• HRXRD is used to analyze epitaxial thin films
– Can determine composition, strain/relaxation, lattice parameters (inplane and out-of-plane), thickness, and defect concentration

• X-Ray Reflectivity (XRR) is used to analyze thin films,

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