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Advanced Photon Source

Beamline 11-BM: High Resolution Powder Diffraction

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Diffraction Resources
Powder Diffraction Resources

Instructional Resources
Series of Web-Based Video Demos and Lectures covering Rietveld analysis using GSAS+EXPGUI
An excellent resource for beginners, plus advanced tips for the more experienced GSAS user.
Powder Diffraction Crystallography Website
"An Introduction to Crystallography": online lecture videos and notes
15 part course taught by Dr. Cora Lind at The University of Toledo (Chem 4980/6850/8850)
Introduction to Crystallography Website
CCP14 - comprehensive web resource for powder & single crystal diffraction community
http://www.ccp14.ac.uk/solution/
Rietveld Mailing List Archive
Nearly 10 years of questions, answers, and discussion on topics related to
powder x-ray diffraction theory, practice, and analysis. Archive has searchable index.
http://www.mail-archive.com/rietveld_l@ill.fr/
National School on Neutron and X-ray Scattering (for graduate students)
http://www.dep.anl.gov/nx/
Introduction to GSAS and Rietveld Refinement (R.B. Von Dreele)
Scattering Summer School (see above) Presentation by Robert Von Dreele
(download ~3 Mb PDF document)


Powder Diffraction Software Packages
Structure Refinement Software (Rietveld, Le Bail etc)
GSAS-EXPGUI
FullProf
JANA
TOPAS Professional
TOPAS Academic
MAUD
BGMN
even more....
Structure Solution from Powder Diffraction Software
FOX/ObjCryst++
EXPO2009
DIFFRACplus (TOPAS)
Superflip (JANA)
even more....
Crystal structure drawing & visualization software
DRAWxtl
ATOMS
VESTA
CrystalMaker
Diamond
Mercury
even more....
CMPR - "swiss army knife" for powder diffraction data
CMPR Website at 11-BM
pdCIFplot - software to display Rietveld refinement results
Homepage at www.ncnr.nist.gov
List of software for powder data format conversion
@ www.ccp14.ac.uk/...
11-BM Merge Program - reduces as-collected data to pseudo single-detector datasets.
downloads/11BMmerge.zip
The merge program allows for merging different sections of data or elimination of specific detectors, etc. It can be useful if a sample is changing during data collection or there are other needs. Requires installation of Python and various python packages as a prerequisite. See the included README.txt file for installation instructions



Textbooks & Journal Articles
Simple introduction to x-ray diffraction theory and experimental methods:
"Elements of X-Ray Diffraction" by B.D. Cullity and S.R. Stock (2001, 3rd edition)
"R factors in Rietveld analysis: How good is good enough?" by B. H. Toby:
Powder Diffraction, Volume 21, Issue 1, pp. 67-70 (March 2006)
Comprehensive review of a wide range of crystallographic topics:
"Fundamentals of Crystallography" by C. Giacovazzo, H. Monaco, G. Artioli, and D. Viterbo (Paperback - Jul 15, 2002)
Overview of state-of-the-art methods in powder diffraction:
"Powder Diffraction: Theory and Practice" by R. Dinnebier and S. Billinge (2008)
Concise introduction to practical aspects of modern powder diffraction methods:
"Principles and Applications of Powder Diffraction" by A. Clearfield, J. Reibenspies, and N. Bhuvanesh (2008)
Classic textbook on X-ray diffraction procedures:
"X-Ray Diffraction Procedures: For Polycrystalline and Amorphous Materials" by Harold P. Klug and Leroy E. Alexander


Powder Diffraction Tools
Compute X-ray Absorption
X-ray absorption explained - how it impacts your pXRD measurement
Web routine to estimate capillary sample absorption
X-ray Absorption Edges
http://skuld.bmsc.washington.edu/scatter/AS_periodic.html
Space Group Diagrams and Tables
http://img.chem.ucl.ac.uk/sgp/medium/sgp.htm
Database of Shannon Ionic Radii for the Elements
http://abulafia.mt.ic.ac.uk/shannon/ptable.php
XRD Crystallite Size Calculator using Scherrer Formula
http://www.d.umn.edu/~bhar0022/dpcalculator/
X-Ray Data Booklet (Lawrence Berkeley National Lab.)
http://xdb.lbl.gov/


Societies & Organizations
American Crystallographic Association (ACA)
http://www.amercrystalassn.org/
International Union of Crystallography (IUCr)
http://www.iucr.org/
The International Centre for Diffraction Data (ICDD)
http://www.icdd.com/
Information and news source for synchrotron light source facilities around the world
http://www.lightsources.org/cms/


Synchrotron X-ray and Neutron Powder Diffraction Beamlines
List of Light Source Facilities around the World
http://www.lightsources.org/list...
APS Beamline 1-BM (general powder diffraction)
https://beam.aps.anl.gov/
APS Beamline 11-ID-B (dedicated pair-distribution-function beamline)
https://beam.aps.anl.gov/
Diamond Light Source, Beamline I11 (UK's high resolution powder diffraction)
http://www.diamond.ac.uk
Australian Synchrotron Powder Diffraction Instrument
http://www2.synchrotron.org.au
ESRF high resolution powder diffraction beamline - ID31
http://www.esrf.eu
Swiss Light Source (SLS/PSI) - Powder diffraction beamline
http://sls.web.psi.ch
POWGEN Neutron Powder Diffractometer (SNS at Oak Ridge Nat. Lab.)
http://neutrons.ornl.gov
Neutron Power Diffraction at UK's ISIS Facility (HRPD / Polaris / GEM)
http://www.isis.stfc.ac.uk
Crystallography at the Lujan Neutron Scattering Center (Los Alamos National Laboratory)
http://lansce.lanl.gov/lujan/


Other
Online Course on Synchrotron Radiation taught by Prof. David Attwood (2007)
"Synchrotron Radiation for Materials Science Applications", Univ. California at Berkeley
Watch all 20 course lectures on YouTube UC Berkeley Course Website
NIST Standard Reference Materials (SRM) for X-Ray Diffraction
https://www.nist.gov/...
Crystallography Open Database
http://www.crystallography.net/
Bilbao Crystallographic Server (web site with crystallographic programs and databases)
http://www.cryst.ehu.es/

 
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