Exploring Crystal Structures with XtalDraw

Wendy Panero

Ohio State University

This activity is part of the On the Cutting Edge Peer Reviewed Teaching Activities collection. (view details)

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Scientific Accuracy
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Initial Publication Date: July 16, 2009 | Reviewed: December 29, 2014 (see revision history: 2 events)

Summary

This exercise uses publicly available resources to visualize mineral structures in three dimensions on the computer, including symmetry, the use of polyhedral modeling and linking, and the effects of solid solutions on bonding.

Crystallography, Crystal Chemistry, X-ray Techniques, Geology | College Lower (13-14), College Upper (15-16)

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Context

Audience

Undergraduate mineralogy

Skills and concepts that students must have mastered

This exercise comes after a brief introduction to symmetry, lattices, and Pauling's rules.

How the activity is situated in the course

This is part of a sequence including X-ray diffraction, X-ray fluorescence, and a final project on an individual's mineral. This can be easily adapted to be stand alone exercise.

Goals

Content/concepts goals for this activity

Crystal structures and symmetries in minerals.

Higher order thinking skills goals for this activity

Visualization in three dimensions and formulating an understanding of the effects of solid solutions on the lattice.

Other skills goals for this activity

Description of the activity/assignment

At the end of this exercise students will be able to use computer-based software to draw crystal structures and visualize symmetries present in minerals. By varying the way in which atoms or groups of atoms are displayed, they will begin to see how atoms link through bonds. Students will also begin to investigate the effects of variable composition on bonding on unit cell parameters.