Crystal structure of barium dinickel(II) iron(III) tris[orthophosphate(V)], BaNi2Fe(PO4)3

Abstract

The orthophosphate BaNi2Fe(PO4)3 has been synthesized by a solid-state reaction route and characterized by single-crystal X-ray diffraction and energy-dispersive X-ray spectroscopy. The crystal structure comprises (100) sheets made up of [Ni2O10] dimers that are linked to two PO4 tetrahedra via common edges and vertices and of linear infinite [010] chains of corner-sharing [FeO6] octahedra and [PO4] tetrahedra. The linkage of the sheets and chains into a framework is accomplished through common vertices of PO4 tetrahedra and [FeO6] octahedra. The framework is perforated by channels in which positionally disordered Ba2+ cations are located.