The zeolite A debate: how wrong is a nearly correct space group?
Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General Crystallography
, Volume 38 (6): 821 – Nov 1, 1982
Abstract
The apparent contradiction between NMR and X-ray results concerning the Si, A1 distribution in zeolite A is quantitatively analysed. It is concluded that the Fmc structure model, based on X-ray refinements, is compatible with the NMR data if a cautious chemical-shift assignment is applied. The appropriate use of crystallographic approximations and their symmetry is discussed.
