The determination of deuteron site in SrZr0.95Sc0.05O3−α by neutron powder diffraction
Abstract High-resolution, powder, neutron diffraction data have been collected on the protonic conductors SrZr 0.95 Sc 0.05 O 3− 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 ZrO 6 /ScO 6 octahedra near oxygen atoms.