Crystallographic Information Framework

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Index

Modulated and composite structures dictionary (msCIF) version 1.0.1

Category ATOM_SITE_OCC_FOURIER

Name:
'_atom_site_occ_Fourier_[]'

Definition:

   Data items in the ATOM_SITE_OCC_FOURIER category record details
   about the Fourier components of the occupational modulation of
   the atom sites in a modulated structure. The (in general complex)
   coefficients of each Fourier component belong to the category
   ATOM_SITE_OCC_FOURIER_PARAM and are listed separately.

Example:

Example 1 - extracted from Madariaga, G., Z\'u\~niga, F.J., Paciorek, W.A. & Bocanegra, E.H. [Acta Cryst. (1990), B46, 620-628]. 
 
     loop_
         _atom_site_occ_Fourier_id
         _atom_site_occ_Fourier_atom_site_label
         _atom_site_occ_Fourier_wave_vector_seq_id
              CuBr4_1  CuBr4   1
              NC4_1_1  (NC4)1  1
              NC4_2_1  (NC4)2  1


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.