The determination of deuteron site in SrZr0.95Sc0.05O3−α by neutron powder diffraction

High-resolution, powder, neutron diffraction data have been collected on the protonic conductors SrZr0.95Sc0.05O3−α with and without dissolved heavy water at a temperature of 10 K. Diffraction data have been analyzed by the Rietveld and maximum entropy methods (MEM). The crystal structure of these samples at 10 K is successfully refined assuming a perovskite-type structure with the space group Pnma. The deuterons are located outside the ZrO6/ScO6 octahedra near oxygen atoms.