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Modulated and composite structures dictionary (msCIF) version 1.0.1

_atom_site_occ_special_func_crenel_

Names:
'_atom_site_occ_special_func_crenel_c' '_atom_site_occ_special_func_crenel_w'

Definition:

   _atom_site_occ_special_func_crenel_ items are the adjustable
   parameters of a crenel function.

   An occupational crenel function along the internal space is
   defined as follows:

            p(x4)=1   if x4 belongs to the interval [c-w/2,c+w/2]
            p(x4)=0   if x4 is outside the interval [c-w/2,c+w/2],

   where x4 is the internal coordinate, c is the centre of the
   function in internal space and w is its width. The use of this
   function is restricted to one-dimensional modulated structures.
   For more details, see the manual for JANA2000
   (Petricek & Dusek, 2000).

   Reference: Petricek, V. & Dusek, M. (2000). JANA2000. The
   crystallographic computing system. Institute of Physics, Prague,
   Czech Republic.

Appears in list containing _atom_site_occ_special_func_atom_site_label
Enumeration default: 0.0

Type: numb

Category: atom_site_occ_special_func