Structure solution of zeolites from powder diffraction data

This article reviews methods in structure determination of zeolites from powder diffraction data. First, examples of different model building techniques are discussed. Then the applications and limitations of conventional direct methods in zeolite structure solution are examined. Methods for partitioning overlapping peak intensities are also discussed, and examples are given to illustrate improvements in structure elucidation when these techniques are applied. Ab initio structure determination of zeolites from powder data has made great progress within the past 10 years. In particular, the developments of the ZEFSAII, FOCUS, and XLENS algorithms have allowed rapid structure solutions of zeolites, in some cases a few days after their initial discoveries.