Modulated structures dictionary (msCIF) version 3.2.1

_atom_site_rot_xharm.axis

Name:
_atom_site_rot_xharm.axis

Definition:

   

      A label identifying the rotational part of the displacive modulation of 
      a given rigid group that is being parameterized by x-harmonics. a, b and c 
      are the basic lattice vectors of the reference structure. For composites 
      they refer to the reference structure of each subsystem. a~1~, a~2~ and a~3~ 
      are defined by the items belonging to the ATOM_SITES_AXES category, through 
      _atom_site_rot_xharm.matrix_seq_id.

Type: Code

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

Category:
atom_site_rot_xharm

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Crystallographic Information Framework

Modulated structures dictionary (msCIF) version 3.2.1

_atom_site_rot_xharm.axis

International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

Edited by S. R. Hall and B. McMahon

IUCrData