Category: category_overview
Data type: null
Examples:
loop_ _atom_site_rot_Fourier_id _atom_site_rot_Fourier_atom_site_label _atom_site_rot_Fourier_axis _atom_site_rot_Fourier_wave_vector_seq_id SeO4_x_1 SeO4 x 1 SeO4_y_1 SeO4 y 1
Example 1 - example corresponding to the one-dimensional incommensurately modulated structure of K~2~SeO~4~.
_atom_sites_rot_Fourier_axes_description ; a1 and a2 are respectively the long molecular axis and the axis normal to the mean molecular plane. ; loop_ _atom_site_rot_Fourier_id _atom_site_rot_Fourier_atom_site_label _atom_site_rot_Fourier_axis _atom_site_rot_Fourier_wave_vector_seq_id Ph1_a1_1 Phenyl1 a1 1 Ph2_a1_1 Phenyl2 a1 1 Bph_a2_1 Biphenyl a2 1
Example 2 - extracted from Baudour & Sanquer [(1983). Acta Cryst. B39, 75-84.] Note the entry from the ATOM_SITES_ROT_FOURIER category to describe collective information relating to all the atom sites.
Data items in the ATOM_SITE_ROT_FOURIER category record details about the Fourier components present in the rotational part of the displacive modulation of a given rigid group. The translational part would appear in a separate list of items belonging to the ATOM_SITE_DISPLACE_FOURIER category. The (in general complex) coefficients of each Fourier component belong to the category ATOM_SITE_ROT_FOURIER_PARAM and are listed separately.