P. Depondt et al., MAXIMUM-ENTROPY AS A TOOL FOR THE DETERMINATION OF THE C-AXIS PROFILEOF LAYERED COMPOUNDS, Acta crystallographica. Section B, Structural science, 49, 1993, pp. 153-158
A simple procedure for the determination of the structure normal to th
e basal plane of layered compounds based on the now ubiquitous maximum
-entropy method is presented. It is illustrated by the analysis of roo
m-temperature (00l) elastic neutron-scattering experiments performed o
n two graphite intercalation compounds, stage 3 C44.6MoCl5 and stage 1
KC24(ND3)4.3. The former example is quite simple, requiring only a cr
ude heuristic model to determine the structure-factor phases. The latt
er shows good sensitivity to the orientation of the ND3 threefold axis
with respect to the basal plane, thus providing its first direct dete
rmination.