Oscail Tutorials   An Introduction to X-ray Diffraction

X-Ray Crystallography Structure Solution Tutorials

   Tutorial 1 An easy first example (ex_1)

   Tutorial 2 A more advanced example (ex_2)

   Tutorial 3 Oscail picking up Oxford Diffraction Crysalis files and structure solution through to use of the Oscail file checker prior to CHECKCIF

   Tutorial 4 Using Superflip to solve DF12 (C18H40N3O2Si2)

   Tutorial 5 Getting the Space Group right - Three methods which can be used to check the Space Group.

   Tutorial 6 Predicting Crystal Shape using Ritnos

   Nine data sets (ex_1 to ex_9) can be downloaded. It is suggested that the zip file is expanded in the \shelx folder.  The data sets remain the property of NUI, Galway.

Using ORTEX to Examine the Crystal Lattice

   Packing two unit cells of NaCl
   
More elaborate  Examples  A H-bonded dimer, a 1D H-Bond Motif, a 2D Sheet, two interpenetrating but unconnected networks etc.
   Examine and Quantify Slip Planes
   Bond Valence Sum BVS Calculation
 
   Cubic and Hexagonal Diamond.
   Using Octahedra to illustrate the structures of Rutile, Anatase, and Brookite
   The Structures of a-Quartz, b-Cristobalite and b-tridimite.
   Structures and Voids in Zeolite-A, Faujasite, Sodalite and ZSM-5
   Reassembling a broken molecule (within an asymmetric unit)

Generating an X-ray powder diffraction pattern from a Shelx INS file

Other Tutorials

   Introduction to Ortex and file syncing
   Using an unknown atom coordinate format
   Problems and counter measures

   Tutorials on the Close Packing of Spheres and the Structures of Metals