Advertisement

Structure Refinement

  • Werner Massa
Chapter

Abstract

The methods described in Chapter 8 normally produce a structure solution, that is a set of atoms defined by coordinates x i , y i ,z i for each atom i in the asymmetric unit which describes the crystal structure reasonably well. There are, however, still substantial errors in these parameters, which arise partly from the approximations of the method of solution, partly from errors in evaluating the maxima in the Fourier synthesis, and partly, of course, from errors in the measured data.

Keywords

Heavy Atom Rietveld Refinement Displacement Parameter Displacement Ellipsoid Atomic Displacement Parameter 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

Copyright information

© Springer-Verlag Berlin Heidelberg 2004

Authors and Affiliations

  • Werner Massa
    • 1
  1. 1.Department of ChemistryUniversity of MarburgMarburgGermany

Personalised recommendations