Crystallographic Information Framework

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Index

Modulated and composite structures dictionary (msCIF) version 1.0.1

Category CELL_SUBSYSTEM

Name:
'_cell_subsystem_[ms]'

Definition:

   Data items in the CELL_SUBSYSTEM category record details about
   the crystallographic cell parameters of each subsystem present in
   a composite.

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]. 
 
     _cell_subsystems_number                  2
     loop_
         _cell_subsystem_code
         _cell_subsystem_description
         _cell_subsystem_matrix_W_1_1
         _cell_subsystem_matrix_W_1_4
         _cell_subsystem_matrix_W_2_2
         _cell_subsystem_matrix_W_3_3
         _cell_subsystem_matrix_W_4_1
         _cell_subsystem_matrix_W_4_4
                 NbS2            '1st subsystem'  1 0 1 1 0 1
                 LaS             '2nd subsystem'  0 1 1 1 1 0


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.