Tutorial 1 Solution
(ShelxT) and refinement (ShelxL) of a P21/c structure.
Tutorial 2 Oscail picking up CrysAlisPro files, Structure solution to final publication CIF and Ellipsoid plot
Tutorial 3 Find Space Group using Absen and Superflip. Solution (Superflip) and Absolute Configuration
Tutorial 4 Predicting Crystal Shape using Ritnos
Tutorial 5 Centroid distance matrix analysis for HPS
Tutorial 6 Visualising HPS PIXEL output
Tutorial 7 Adding a Crystal Shape to a Lattice Pack
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
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