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Large crystals of Bi 2 M 4 O 9  (M = Fe, Ga) were examined by single-crystal neutron diffraction at the Institut Laue Langevin (ILL) in Grenoble. The crystal structures of these bismuth metal oxides are commonly described as mullite-type compounds in space group Pbam. However, up to several hundreds of reflections were observed in both compounds with significant intensity violating the reflection conditions in this space group. Psi-scans with a short wavelength (0.837 Å at D9) were quasi-continuous and thus provided ambiguous results, hampering the identification of the source of these intensities. With a much longer wavelength (2.364 Å at D10) the Psi scans displayed strong variations of the intensities with small changes of the scan angle Psi. These Psi scan intensities could be well matched by an appropriate calculation with the program UMWEG (Rossmanith, 2003) and thus multiple diffraction turned out to be the source of these extra reflections. As a result the space group Pbam proved to be the correct one. Due to widespread misconceptions the geometrical background of Umweganregung is discussed to considerable detail.

“Forbidden” reflections in neutron diffraction on bismuth metal oxides: symmetry reduction, λ/2 effect or Umweganregung?