Single-Crystal X-ray Structure Determination
Published Online: 12 OCT 2012
Copyright © 2003 by John Wiley & Sons, Inc. All rights reserved.
Characterization of Materials
How to Cite
Gómez, C. P. and Jacobson, R. A. 2012. Single-Crystal X-ray Structure Determination. Characterization of Materials. 1–20.
- Published Online: 12 OCT 2012
This article is a comprehensive guide to the basics of crystallography and structure determination. We will concentrate here on the use of x-ray diffraction techniques as would be necessary for the conventional crystal structure investigation; that is, structures which are not twinned, incommensurate, or contain substantial amounts of disorder. A discussion of the basic principles of single-crystal x-ray diffraction will be presented first, followed by a discussion of the practical aspects of these techniques. In the course of this discussion, a few of the more widely used methods of overcoming the lack of measured phases, that is, the phase problem in crystallography, will be presented.
Keywords: X-ray diffraction; single crystal; structure analysis; refinement