Electron Paramagnetic Resonance of Cu2+ in Na3PO4·8H2O Single Crystal

Abstract

The electron paramagnetic resonance spectra of Cu2+ in an Na<inf>3</inf>PO<inf>4</inf>·8H<inf>2</inf>O single crystal were studied at room temperature. The spectra indicate the presence of two magnetically inequivalent sites and monoclinic symmetry of the crystal. The principal values of the g and the hyperfine tensors were determined and were found to be in agreement with the literature values. It is proposed that the Cu2+ ions replace the Na+ ions, and the charge compensation is fulfilled by the charge of a nearby proton vacancy of the coordinating water molecules. The ground state wavefunction of the Cu2+ is thought to be an admixture of the 3d<inf>x2-y2</inf> and 3d<inf>z2</inf> orbitals and the admixtures of the two magnetically inequivalent sites were obtained. © 2001 Elsevier Science Ltd.