VII. Workshop Powder Diffraction Structure Determination and Refinement from Powder Diffraction Data

New techniques have been integrated into EXPO (Altomare et al., 1999), a package devoted to extracting the integrated intensities from an indexed powder diffraction pattern and to solving crystal structures via Direct Methods. An efficient peak-search algorithm and an improved version of the program TREOR90 (Werner et al., 1985) have been introduced in order to offer new tools for a more powerful powder pattern indexing (Altomare et al., 2000a). A procedure aiming at completing a partial crystal structure via the prior information on the coordination polyhedra has been also implemented (Altomare et al., 2000b). The updated version of EXPO, EXPO2000, is indeed able to produce and complete a structural model directly from the experimental unindexed powder diagram.