Solid State Ionics, Vol.77, 55-62, 1995
Structural Aspects of the Dehydration of Alpha-Zr(HPO4)(2)Center-Dot-H2O
Results of a temperature-dependent crystallographic study of the solid state protonic conductor alpha-Zr(HPO4)(2) . H2O are presented. Lattice parameters of this monohydrate and of its dehydrated phases, alpha-Zr(HPO4)(2) and beta-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.
Keywords:ALPHA-ZIRCONIUM HYDROGENPHOSPHATE;ION-EXCHANGE;PROTON DIFFUSION;AC CONDUCTIVITY;PHOSPHATE;MECHANISM;ALPHA-ZR(HPO4)2.H2O;PHASES