Crystallographic CourseWare

This is the set of programs I used with my students, some are mine, with links to others who have made their work freely available.  You are welcome to use my programs in your classes. Commercial use is not allowed.

Point Group Symmetry: Elements

Define and identify point group symmetry elements

Point Group Symmetry: Staggered and Eclipsed Ethane

Example of counting symmetry elements and use of the template for practice (next)

Point Group Exercises: Identification and Counting Symmetry Elements

Introductory Exercises using a limited set of symmetry elements.

Explore Plane Groups: Schoeni, Hardaker and Chapuis' program Web Sketch
and Dr. Steffen Weber's program JWallpaper

Really nice programs from other's sites; draw an image and see the results of the application of plane group symmetry operations.

Unit Cells and Asymmetric Units

Definitions and examples; introduction to practice in identification.
Plane Group Symmetry Elements Definitions and examples
Plane Group Exercises: Identification of Symmetry, Unit Cells and Asymmetric Units Practice in recognition.
Space Group Symmetry Elements Define and identify space group symmetry elements
More Symmetry Inversion Axes (compared with improper axes of rotation); Diamond Glide; Screw Axes
Space Group Exercises Practice in interpretation of the images from the International Table for Crystallography, Vol. A
Reciprocal Space Definition using animations
Precession Photographs: Reciprocal Space to Space Group This is an executable file that you will need to download to view. How to index pseudo photos and deduce space group.
Scattering Factors Deduce what these are using simple images of data.
Thermal Parameters Examples and interpretations
The Crystal Structure of Bromobenzoic Acid by George L. Hardgrove, St. Olaf College
A Mathcad program that generates a 2DPatterson Map, allows students to enter the heavy atom location and then use electron difference contour maps to solve the structure.  Simple refinement is also available.
Crystal Growth Techniques Details for beginners.

Current web version by Margaret Kastner, Timathy Medlock and Kristy Brown

Discussion of the project: Crystallographic CourseWare
Kastner, M. E.
Journal of Applied Crystallography (1999), 32(2), 327-331

Previously published as: Point Group I, II and III
Kastner, Margaret E.; Leary, Patrick; Grieves, Jonathan; DiMarco, Keith; Bruan, James
Journal of Chemical Education (2000), 77(9), 1246-1247

and

Crystallographic CourseWare
Kastner, Margaret E.; Vasbinder, Eric; Kowalcyzk, Deborah; Jackson, Sean; Giammalvo, Joseph; Braun, James; DiMarco, Keith
Journal of Chemical Education (2000), 77(9), 1247-1248

Contact:  Margaret E. Kastner, kastner@bucknell.edu
Last update: 5/24/2013