Visualization of Crystalline Structures Using MAGE

TCE

The Chemical Educator

ISSN: 1430-4171 (electronic version)

Table of Contents

Abstract Volume 2 Issue 3 (1997), S1430-4171(97)03122-1

Visualization of Crystalline Structures Using MAGE

Dean H. Johnston* and Jared R. Archer

Otterbein College, Westerville, OH 43081

Published online: 25 August 1997

Abstract. A series of educational modules for teaching and visualizing crystalline structures has been developed for use with the MAGE program. The MAGE program, designed for display of protein structures, has features that make it well suited for presentation of crystalline structures. Some of these features include: (1) the selective display of subsets of atoms, (2) short pseudoanimation sequences, and (3) predefined viewing angles. Three tutorial modules focus on introductory topics such as the concept of the unit cell, lattice point sharing, closest-packed structures, and holes in ionic lattices. The remaining five example modules are organized by structure type and include structures based on filling of tetrahedral and octahedral holes as well as more complex structures and silicates. We have successfully incorporated this instructional tool into the curriculum at the undergraduate level in both general chemistry and upper-level inorganic chemistry.

Key Words: Computers in Chemistry; MAGE; crystalline structures

(*) Corresponding author. (E-mail: djohnston@otterbein.edu)

Article in PDF format (74 KB )

Supporting Materials:

A text-based exercise appropriate for general chemistry (32 KB) 10.1007/s00897970122b

A brief introduction to the use of the MAGE program with the modules (Binary - Microsoft Word 6.0 format, Mac or PC) (938 KB) 10.1007/s00897970122c

All the crystalline structure modules discussed in this paper (Binary - PKZip format, PC) (86 KB) 10.1007/s00897970122d

An example HTML file with links to many kinemage files (Binary - PKZip format, PC) (89 KB) 10.1007/s00897970122e

All the crystalline structure modules discussed in this paper (Binary - BinHex/Self-Extracting Archive, Mac) (92 KB) 10.1007/s00897970122f

An example HTML file with links to many kinemage files (Binary - BinHex/Self-Extracting Archive, Mac) (92 KB) 10.1007/s00897970122g