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Information, Textbooks, Media, Resources
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JCE Software
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Lattice Energetics
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William J. Vining, Robert P. Grosso, Jr., and Justin T. Fermann
Department of Chemistry, University of Massachusetts, Amherst, Amherst, MA 01003
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January 2003 Vol. 80 No. 1 p. 108
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| Full Text |
Lattice Energetics is a program for Windows computers that consists of five
parts, which, taken together, are designed to teach students about energetics
and interactions between ions in a crystalline solid.
- Ion Pair Energy teaches students about electrostatic interactions
between charges and ions bereft of the confines of a crystalline structure.
- The Madelung Constant is an in-depth look at the Madelung constant
for cubic crystal systems such as sodium chloride and cesium chloride. The terms
of the Madelung series are linked to pictures of what they mean in the crystal
structure. Statistical dynamics of the series, as well as convergence, is also
presented.
- Lattice Energy links the first two sections. It combines the Madelung
constant with the energy calculations introduced in the Ion Pair Energy section
to teach students how lattice energies are calculated.
- Summary is a brief overview of what was covered in the previous three
parts.
- Credits acknowledges people and references.

A screen from the Madelung Constant section
of Lattice Energetics.
Lattice Energetics teaches fundamental concepts about electrostatic energies
as well as in-depth concepts about the Madelung constants for certain cubic crystal
structures. Features of this software include:
- Interactive pictures that show the Madelung series and its implications about
what is happening in the structure.
- Interactive graphs demonstrating the relationship between terms of the Madelung
series and the calculated Madelung constant, as well as terms and charge of the
ion cluster being considered.
- Animations that show fractional occupation of ions within a unit cell.
- Plots of lattice energies and electrostatic interactions, as well as their
relationship to charge, bond length, Born exponent, etc. (Data have been taken
from several sources (1–4).)
Lattice Energetics can be used to present the concepts of lattice energetics
to a class. It can also be made available for students to explore on an individual
basis to help them learn about lattice energetics and the Madelung constant.
Literature Cited
- CRC Handbook of Chemistry and Physics, 63rd edition; CRC Press: Boca
Raton, Florida, 1982; pp D-52–D-95.
- NIST Chemistry WebBook, NIST
(Standard Reference Database Number 69–November 1998 Release), (accessed
Nov 2002).
- Masterton, W. L.; Hurley, C. N. Chemistry: Principles and Reactions;
Saunders College Publishing: New York, 1989.
- West, A. R. Solid State Chemistry and its Applications; John Wiley
and Sons Ltd.: New York, 1984.
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| More Information |
 Citation
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Vining, William J.; Grosso, Robert P., Jr.; Fermann, Justin T. J. Chem. Educ. 2003 80 108.
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 Keywords
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Computer-Based Learning; Inorganic Chemistry; Madelung Constant; Molecular Properties / Structure; Solid-State Chemistry; Teaching / Learning Aids
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 History
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Created:
Last Updated: |
December 5, 2002
February 28, 2005
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| Home > JCE Print > Journal of Chemical Education > Issues >
2003
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January
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108
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