Structure Refinement

  • Werner Massa


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.


Heavy Atom Rietveld Refinement Displacement Parameter Displacement Ellipsoid Atomic Displacement Parameter 
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Copyright information

© Springer-Verlag Berlin Heidelberg 2004

Authors and Affiliations

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

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