Crystallographic Information Framework

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Index

Modulated and composite structures dictionary (msCIF) version 1.0.1

Category CELL_WAVE_VECTOR

Name:
'_cell_wave_vector_[ms]'

Definition:

   Data items in the CELL_WAVE_VECTOR category list the
   independent modulation wave vectors q~i~. The diffraction
   vectors are indexed in the form
   ha*+kb*+lc*+sum~i~ (m~i~q~i~). sum~i~ is taken
   over all wave vectors. In this version of the dictionary, the
   index i has been restricted to be less than 9.

Example:

Example 1 - example corresponding to the one-dimensional incommensurately modulated structure of K~2~SeO~4~. 
 
     loop_
         _cell_wave_vector_seq_id
         _cell_wave_vector_x
                1       0.318(5)


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.