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.
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 and two interpenetrating but unconnected networks.
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
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
Ritmol Tutorial
Predicting the structure of o-toluidinium chloride