Crystallographic Information Framework

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Index

Modulated and composite structures dictionary (msCIF) version 1.0.1

Category ATOM_SITE_FOURIER_WAVE_VECTOR

Name:
'_atom_site_Fourier_wave_vector_[]'

Definition:

   Data items in the ATOM_SITE_FOURIER_WAVE_VECTOR category record
   details about the wave vectors of the Fourier terms used in the
   structural model.

Example:

Example 1 - based on the modulated structure of inorganic misfit layer (LaS)~1.14~NbS~2~ [Smaalen, S. van (1991). J. Phys. Condens. Matter, 3, 1247-1263]. 
 
     loop_
         _atom_site_Fourier_wave_vector_seq_id
         _atom_site_Fourier_wave_vector_x
         _atom_site_Fourier_wave_vector_description
              1       0.568           'First harmonic'
              2       1.136           'Second harmonic'


Type: null

Category: category_overview


International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

First online edition (2006)

Edited by S. R. Hall and B. McMahon

An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.