Structural aspects of the dehydartion of Zr(HPO4)2*H2O
Authors: G. Schuck, R. Melzer, R. Sonntag, R.E. Lechner, A. Bohn, K. Langer and M.CasciolaJournal-ref: Solid State Ionics, 77 (1995) 55-62 , PDF
Results of a temperature-dependent crystallographic study of the solid state protonic conductor α-Zr(HPO4)2 · H2O are presented. Lattice parameters of this monohydrate and of its dehydrated phases, α-Zr(HPO4)2 and β-Zr(HPO4)2, have been determined in the temperature range from 20 K to 650 K using X-ray and synchrotron powder diffraction. Neutron data of the protonated and of the deuterated monohydrates were refined by the Rietveld method, paying particular attention to the H- and D-sites, respectively. The dehydration process has been studied by comparing temperature-dependent coherent and incoherent neutron scattering intensities with X-ray powder diffraction and DTA/TG measurements. Proton conduction mechanisms are discussed in the light of these results.