DIRECT-METHODS FOR INCOMMENSURATE INTERGROWTH COMPOUNDS .2. DETERMINATION OF THE MODULATION USING ONLY MAIN REFLECTIONS
SHA BD, FAN HF, VAN SMAALEN S, LAM EJW, BEURSKENS PT
ACTA CRYSTALLOGRAPHICA SECTION A 50: 511-515 Part 4 JUL 1 1994

Abstract:
A modified Sayre equation for incommensurate intergrowth compounds is presented. With this equation, both magnitude and phase for structure factors of satellite reflections can be estimated quantitatively through the observed intensities of main reflections, provided their phases are already known. Modulation functions can then be revealed by the Fourier synthesis calculated using the observed main reflections and the estimated satellites. The method has been tested with the known structures of two inorganic misfit layer compounds, (LaS)1.14NbS2 and (PbS)1.18TiS2. Satisfactory results were obtained.