Crystallographic Information Framework

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Index

Modulated and composite structures dictionary (msCIF) version 1.0.1

_atom_site_displace_Fourier_axis

Name:
'_atom_site_displace_Fourier_axis'

Definition:

   A label identifying the displacement component of a given atom
   or rigid group that is being parameterized by Fourier series. a,
   b and c are the basic lattice vectors of the reference structure.
   For composites they refer to the reference structure of each
   subsystem. a1, a2 and a3 are defined by
   _atom_sites_displace_Fourier_axes_description.

Appears in list containing _atom_site_displace_Fourier_id
The data value must be one of the following:


x 		displacement along the a axis

y 		displacement along the b axis

z 		displacement along the c axis

a1 		displacement along an arbitrary a1 axis

a2 		displacement along an arbitrary a2 axis

a3 		displacement along an arbitrary a3 axis

Type: char

Category: atom_site_displace_Fourier


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.