Crystallographic Information Framework

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Index

Modulated and composite structures dictionary (msCIF) version 1.0.1

_cell_reciprocal_basis_description

Name:
'_cell_reciprocal_basis_description'

Definition:

   Definition of the higher-dimensional basis with respect to which
   the Miller indices are defined. The three-dimensional basis used
   to index the additional wave vectors should be clearly indicated.

Examples:

;              a*,b*,c* (reciprocal basis spanning the lattice of main
               reflections) and q (incommensurate with respect to a*,b*,c*)
;
 Typical choice for a one-dimensional incommensurate structure. 
;              The diffraction pattern can be indexed with four integers based
               on the reciprocal vectors a*~1~=a*~11~, a*~2~=a*~12~,
               a*~3~=a*~13~, a*~4~=a*~21~. a*~1j~ (j=1,2,3) index the
               main reflections of the 1st subsystem. a*~21~ is incommensurate
               with a*~11~.
;
 Common choice for a misfit layer compound composed of two subsystems that have in common two reciprocal vectors. Extracted from van Smaalen [Crystallogr. Rev. (1995), 4, 79-202].

Type: char

Category: cell


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.