Rietveld Refinement & Indexing Workshop
Basic Rietveld Refinement & Indexing Workshop - 29 September - 1 October 2014 - Register
Advanced Rietveld Refinement & Indexing Workshop - 2–3 October 2014 - Register
Basic & Advanced Rietveld Refinement & Indexing Workshop -
29 September - 3 October 2014 - Register
Register Online or fax the registration form to +610-325-9823!
Sponsored by the International Centre for Diffraction Data
Newtown Square, Pennsylvania, U.S.A.
Dr. Cyrus Crowder, International Centre for Diffraction Data, Newtown Square, PA
Dr. John Faber, Emeritus, International Centre for Diffraction Data, Newtown Square, PA
Dr. Stacy Gates, International Centre for Diffraction Data, Newtown Square, PA
Amy Gindhart, International Centre for Diffraction Data, Newtown Square, PA
Dr. Soorya Kabekkodu, International Centre for Diffraction Data, Newtown Square, PA
Dr. James Kaduk, Poly Crystallography Inc., Naperville, IL
Take the three-day basic workshop, the two-day advanced workshop or both together for a full week of hands-on training. The ICDD basic Rietveld workshop is a pre-requisite for attending the advanced workshop. A basic understanding of crystallography is also required.
Powder pattern Indexing and Rietveld structural refinement techniques are complementary and are often used to completely describe the structure of a material. Successful indexing of a powder pattern is considered strong evidence for phase purity. Indexing (with derived space group and lattice symmetry determinations) is considered a prelude to determining the crystal structure, and permits phase identification by lattice matching techniques. The Rietveld method is used to refine crystal structures and is perhaps best considered whole- pattern-fitting structure refinement, i.e., we must account not only for the crystal structure but also the instrumental resolution and diffraction physics effects (e.g., crystallite size and strain). The aim is to perform quantitative phase analysis and identification.
This workshop introduces the theory and formalisms of various indexing methods and structural refinement techniques. One unique aspect of this workshop is the extensive use of computer laboratory problem solving and exercises that teach method development in a hands-on environment.
We will use EXPGUI and GSAS for the Rietveld laboratory work; Crysfire (especially Dicvol, Ito and Treor) will be used for indexing exercises.
- Emphasis on space groups, conventions, etc.
Powder Pattern Indexing
- Data reduction methods for peak finding
- We will use Dicvol 04, Treor and Ito indexing examples
- Crysfire will also be discussed
Rietveld Structural Refinement
- History and motivation for development of this technique
- Qualitative description of various sample and instrument-related functions for profile shape, background, etc.
- The use of least-squares constraints will be explored
LeBail and Pawley Fitting Procedures
- What to do when atomic coordinates are not available
- Discussion on use of these tools for structure determination
- Use in powder pattern indexing
Computer Laboratory Components
Exercise problems will include:
- Single phase indexing
- Single phase refinement (all crystalline materials)
- Multiphase refinement (all crystalline materials)
- Nanophase, and small crystallite size content
- Amorphous phase + crystalline phase(s)
Fee and Registration
Registration fees for training courses include classroom and lab materials and catered lunches. Registrations will be accepted until 2 weeks before the start of the course. After that, please call for availability. Payment must be received prior to the course to attend.
A 50% refund of the paid registration fee will be given if your written cancellation is received at the ICDD 20 business days prior to the start of the class. With less notice, a colleague may take your place, or the course materials will be mailed to you.
12 Campus Boulevard
Newtown Square, Pennsylvania, 19073-3273 U.S.A.