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Index

Modulated and composite structures dictionary (msCIF) version 1.0.1

Category ATOM_SITE_OCC_FOURIER_PARAM

Name:
'_atom_site_occ_Fourier_param_[]'

Definition:

   Data items in the ATOM_SITE_OCC_FOURIER_PARAM category record
   details about the coefficients of the Fourier series used to
   describe the occupational modulation of the atom sites in a
   modulated structure. The Fourier components are defined in the
   category ATOM_SITE_OCC_FOURIER and are listed separately.

Example:

Example 1 - extracted from Madariaga, G., Z\'u\~niga, F.J., Paciorek, W.A. & Bocanegra, E.H. [Acta Cryst. (1990), B46, 620-628].
 
     loop_
         _atom_site_occ_Fourier_param_id
         _atom_site_occ_Fourier_param_modulus
         _atom_site_occ_Fourier_param_phase
              CuBr4_1  0.397(11)    0.392(6)
              NC4_1_1  0.216(42)   -0.047(33)
              NC4_2_1  0.208(48)    0.132(27)



Type: null

Category: category_overview