Solid State Ionics, Vol.177, No.26-32, 2353-2356, 2006
The determination of deuteron site in SrZr0.95Sc0.05O3-alpha by neutron powder diffraction
High-resolution, powder, neutron diffraction data have been collected on the protonic conductors SrZr0.95Sc0.05O3-alpha with and without dissolved heavy water at a temperature of 10K. Diffraction data have been analyzed by the Rietveld and maximum entropy methods (MEM). The crystal structure of these samples at 10K 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. (c) 2006 Elsevier B.V. All rights reserved.