Index

Modulated and composite structures dictionary (msCIF) version 1.0.1

_atom_site_displace_special_func_sawtooth_

Definition:

   _atom_site_displace_special_func_sawtooth_ items are the
   adjustable parameters of a sawtooth function.

   A displacive sawtooth function along the internal space is
   defined as follows:

                     ux=2*ax[(x4-c)/w]
                     uy=2*ay[(x4-c)/w]
                     uz=2*az[(x4-c)/w]

   for x4 belonging to the interval [c-(w/2), c+(w/2)], where ax,
   ay and az are the amplitudes (maximum displacements)
   along each crystallographic axis, w is its width, x4 is the
   internal coordinate and c is the centre of the function in
   internal space. ux, uy and uz must be expressed in relative
   units. 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_displace_special_func_atom_site_label
Enumeration default: 0.0

Type: numb

Category: atom_site_displace_special_func