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Index

Modulated and composite structures dictionary (msCIF) version 1.0.1

Category ATOM_SITE_U_FOURIER

Name:
'_atom_site_U_Fourier_[]'

Definition:

   Data items in the ATOM_SITE_U_FOURIER category record details
   about the Fourier components describing the modulation of the
   atomic thermal parameters in a modulated structure.

Example:

Example 1 - extracted from Meyer, Paciorek, Schenk, Chapuis & Depmeier [Acta Cryst. (1994), B50, 333-343].
 
     loop_
         _atom_site_U_Fourier_id
         _atom_site_U_Fourier_atom_site_label
         _atom_site_U_Fourier_tens_elem
         _atom_site_U_Fourier_wave_vector_seq_id
              Mn_U11_2  Mn  U11  2
              Mn_U22_2  Mn  U22  2
              Mn_U33_2  Mn  U33  2
              Mn_U12_2  Mn  U12  2
              Mn_U13_2  Mn  U13  2
              Mn_U23_2  Mn  U23  2
              Cl1_U11_2 Cl1 U11  2
              Cl1_U22_2 Cl1 U22  2
              Cl1_U33_2 Cl1 U33  2
              Cl1_U12_2 Cl1 U12  2
              Cl1_U13_2 Cl1 U13  2
              Cl1_U23_2 Cl1 U23  2

     # - - - - data truncated for brevity - - - -



Type: null

Category: category_overview