Powder Diffraction - Spallation Neutron Source

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$Single Crystal Diffraction - Spallation Neutron Source$

Outline Where to go for more information What can we learn from powder diffraction? Some background on crystallography Diffraction from single crystals Diffraction from powders Instruments for powder diffraction collection Materials effects in powder diffraction Crystallographic analysis of powder diffraction data (Total scattering/PDF analysis) 2
Where to go for more… There are many texts available. My favorites: Fundamentals of Crystallography (2nd Ed.), Carmelo Giacovazzo, et al. (Oxford, 2002, ~$90) [Modern & very comprehensive, quite reasonable price considering quality, size & scope.] X-Ray Structure Determination: A Practical Guide (2nd Ed.), G. H. Stout, & L. H. Jensen (Wiley, 1989, ~$150) [Focused on small-molecule single crystal techniques, dated, but very easy to read; very good explanations of fundamentals. 1 st book for many in field.] APS Web lectures on powder diffraction crystallography: www.aps.anl.gov: look for Education/Schools/Powder Diffraction Crystallography (http://www.aps.anl.gov/Xray_Science_Division/Powder_Diffraction_Crystallography) Intended to introduce Rietveld refinement techniques with GSAS & EXPGUI 3
Page 1: A Very Abbreviated Introduction to
Page 5 and 6: Basic Crystallography 5
Page 7 and 8: Lattice planes General Indices: la
Page 9 and 10: Diffraction from single crystals D
Page 11 and 12: Powder Diffraction 11
Page 13 and 14: Bragg cones in powder diffraction S
Page 15 and 16: Coherent Atomic Scattering Power (d
Page 18 and 19: Resonant Conditions X-rays X-ray fo
Page 20 and 21: Measuring powder diffraction Angul
Page 22 and 23: Highest resolution requires high co
Page 24 and 25: Powder Instruments: Constant Wavele
Page 26 and 27: Time of Flight Diffraction Time of
Page 28 and 29: Neutron Powder Diffraction with Spa
Page 30 and 31: Materials effects on Powder Diffrac
Page 32 and 33: Crystallite Size Broadening d*=cons
Page 34 and 35: Microstrain Broadening See GSAS Man
Page 36 and 37: Anisotropic strain broadening terms
Page 38 and 39: Fitting of Powder Diffraction Data
Page 40 and 41: Fitting crystallographic data -- wh
Page 42 and 43: Hugo Rietveld’s technique Hugo R
Page 44 and 45: Hugo Rietveld in the Petten Reactor
Page 46 and 47: Hugo Rietveld’s other breakthroug
Page 48 and 49: What sort of data are needed for Ri
Page 50 and 51: Limitations of Rietveld Rietveld c
Page 52 and 53:
Approaches to Profile Models Three
Page 54 and 55:
Voigt vs. Pseudo-Voigt A Gaussian c
Page 56 and 57:
Axial Divergence (Low Angle Asymmet
Page 58 and 59:
Sample Displacement & Transparency
Page 60 and 61:
The Unit Cell The unit cell descri
Page 62 and 63:
Lattice Types Centering causes latt
Page 64 and 65:
Space Groups Not all combinations
Page 66:
Reciprocal Lattice To simplify mat
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Powder Diffraction - Spallation Neutron Source

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