Synthesis, crystal structure, and ionic conductivity of a new layered metal phosphate, Li2Sr2Al(PO4)3

Abstract

A new layered metal phosphate, Li2Sr2Al(PO4)3, was synthesized in the form of either a single-crystal or polycrystalline powder using the molten hydroxide flux method or a solid-state reaction, respectively. Li2Sr2Al(PO4)3 crystallizes to the P21/n (Z=4) monoclinic space group with lattice parameters a≈4.95Å, b≈22.06Å, c≈8.63Å, and β≈91.5°. The structure is composed of stacked [LiSrAl(PO4)2] layers alternating regularly with [LiSrPO4] layers. In the [LiSrAl(PO4)2] sublattice, the AlO6 octahedra and PO4 tetrahedra are tilted cooperatively to form an anionic, corrugated, two-dimensional [Al(PO4)2]3− framework that can be regarded as a “distorted-glaserite” structure. The [LiSrPO4] sublattice is that of a layered block containing a six-membered ring formed from alternating linkages of LiO4 and PO4 tetrahedra. The six-membered rings show a boat-type arrangement with the up(U) or down(D) pointing sequence, UUDUUD. The interspace between the two sublattices generates a two-dimensional pathway for Li+ ion conduction. The impedance measurement indicated that Li2Sr2Al(PO4)3 had a moderate ion conductivity (σ≈1.30×10−4Scm−1 at 667K), with an activation energy Ea≈1.02eV.