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
Tutorial 8 Adding Authors and CIF Data blocks to a CIF
Tutorial 9 Unit Cell transformation and symmetry checking
Niggli Cell Cluster Analysis
Tutorial 11 Improve PCA analysis of PXRD using PDF with pdfgetx3
Using ORTEX to Examine the Crystal Lattice
Packing two unit cells of NaCl
JH21 is a H-Bonded dimer.
Example 2 perhydpr has a 1D H-bond motif
Example 3 boric_acid has a 2D H-bonded sheet
Example 4 Sulfathiazole_form1 has two molecules in the asymmetric unit which form independent H-bond networks.
Example 5 Using Structure Expansion to complete H-bonded dimers in the JH21 Cell Pack
Example 6 Using Structure Expansion to
complete H-bonded dimers with four
molecules in asymmetric unit.
Example 7 Structure Expansion by clicking contact atoms with the mouse.
Example 8 Using Structure Expansion with and without C-H...O contacts in the Benzoic Acid Structure
More ORTEX Tutorials
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