title: Adsorption Behavior of Rare Earth Metal Cations in the Interlayer Space of γ-ZrP.
abstract: Adsorption competencies of rare earth metal cations in γ-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 β 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 xabc 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 Er 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 γ-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.
authors.affiliation: Center for Crystal Science and Technology, University of Yamanashi , 7-32 Miyamae, Kofu, Yamanashi 400-8511, Japan.
authors.forename: Takahiro
authors.initials: T
authors.lastname: Takei
authors.affiliation: Center for Crystal Science and Technology, University of Yamanashi , 7-32 Miyamae, Kofu, Yamanashi 400-8511, Japan.
authors.forename: Kiyoaki
authors.initials: K
authors.lastname: Iidzuka
authors.affiliation: Faculty of Engineering, Division of Applied Chemistry, Hokkaido University , Kita 13 Nichi 8, Kita-ku, Sapporo 060-8628, Japan.
authors.forename: Akira
authors.initials: A
authors.lastname: Miura
authors.affiliation: Center for Crystal Science and Technology, University of Yamanashi , 7-32 Miyamae, Kofu, Yamanashi 400-8511, Japan.
authors.forename: Sayaka
authors.initials: S
authors.lastname: Yanagida
authors.affiliation: Center for Crystal Science and Technology, University of Yamanashi , 7-32 Miyamae, Kofu, Yamanashi 400-8511, Japan.
authors.forename: Nobuhiro
authors.initials: N
authors.lastname: Kumada
authors.affiliation: Department of Physical Science, Hiroshima University , 1-3-1 Kagamiyama, Higashi-hiroshima, Hiroshima 739-8526, Japan.
authors.forename: Eisuke
authors.initials: E
authors.lastname: Magome
authors.affiliation: Department of Physical Science, Hiroshima University , 1-3-1 Kagamiyama, Higashi-hiroshima, Hiroshima 739-8526, Japan.
authors.forename: Chikako
authors.initials: C
authors.lastname: Moriyoshi
authors.affiliation: Department of Physical Science, Hiroshima University , 1-3-1 Kagamiyama, Higashi-hiroshima, Hiroshima 739-8526, Japan.
authors.forename: Yoshihiro
authors.initials: Y
authors.lastname: Kuroiwa