G. Bruderl et al., EXPERIENCES WITH A STRUCTURE DETERMINATION ON THE BASIS OF POWDER DATA, Acta crystallographica. Section B, Structural science, 50, 1994, pp. 45-50
The result of a crystal structure determination on the basis of Guinie
r powder data is compared with the structure based on single-crystal d
ata. Both determinations agree roughly regarding the arrangement of th
e atoms; however, the powder-data result shows strong deviations with
respect to the correct atomic positions.