MAXIMUM-ENTROPY AS A TOOL FOR THE DETERMINATION OF THE C-AXIS PROFILEOF LAYERED COMPOUNDS

Citation
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
Citations number
12
Categorie Soggetti
Crystallography
ISSN journal
01087681
Volume
49
Year of publication
1993
Part
2
Pages
153 - 158
Database
ISI
SICI code
0108-7681(1993)49:<153:MAATFT>2.0.ZU;2-A
Abstract
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.