Adsorption Behavior of Rare Earth Metal Cations in the Interlayer Space of γ-ZrP.

Adsorption competencies of rare earth metal cations in gamma-zirconium phosphate were examined by ICP, synchrotron X-ray diffraction (SXRD), and ab initio simulation: The adsorption amounts are around 0.06-0.10 per zirconium phosphate. From the SXRD patterns of the adsorbed samples, the basal spacing estimated by c sin beta increased linearly with an increasing ionic radius of rare earth metal cation, though a and b lattice constants show no change. These SXRD patterns Can be classified into four groups that have different super lattices. The four superlattices have multiplicities of x131, x241, and x221 for the xabe axis, and the location of the rare earth metal cation in the original unit cell changes depending on the superlattice cell. In the x131 superlattice, Yb and Et occupied the site near the zirconium phosphate layer, though La and Ce in the x221 superlattice remained in the center position between the phosphate sheet. For the ab initio simulation of gamma-ZrP with the typical rare earth metal cations (Tb, Eu, Dy, and La), the results of simulation show a similar tendency of the position estimated by SXRD refinements.