R. Degelder et al., DIRECT-METHODS FOR INCOMMENSURATELY MODULATED STRUCTURES - ON THE APPLICABILITY OF NORMALIZED STRUCTURE FACTORS, Acta crystallographica. Section A, Foundations of crystallography, 52, 1996, pp. 947-954
The recently defined normalized structure factors for incommensurately
modulated structures [Lam, Beurskens & van Smaalen (1993). Acta Cryst
. A49, 709-721] have been subjected to extensive tests regarding their
applicability in direct methods for phase determination. It is shown
that the probability distribution associated with the structure invari
ants E(-H)E(H')E(H - H'), where a and H' are reciprocal vectors of mai
n and/or satellite reflections, approximately has the same functional
form as the Cochran distribution but triplet phase relations are relat
ively less reliable when satellites are involved. The use of the multi
dimensional Sayre equation for the determination of phases of satellit
e reflections [Hao, Liu & Fan (1987). Acta Cryst. A43, 820-824; Fu & F
an (1994). J. Appl. Cryst. 27, 124-127] is not improved by using norma
lized structure factors instead of ordinary structure factors.