In addition to the approximate atomic x, y, z-coordinates,
there is another factor influencing the magnitudes of the structure factors - thermal motion. Even
though the structure determination is done on the solid phase, the atoms still have some thermal
motion (vibration and rotation). For example, in the organic molecule shown below, it might be
expected that atoms on the periphery of the molecule would experience more thermal vibration that
atoms in the interior of the molecule: