Crystal structure of barium dinickel(II) iron(III) tris-[orthophosphate(V)], BaNiFe(PO).

The orthophosphate BaNiFe(PO) 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 [NiO] dimers that are linked to two PO tetra-hedra common edges and vertices and of linear infinite [010] chains of corner-sharing [FeO] octa-hedra and [PO] tetra-hedra. The linkage of the sheets and chains into a framework is accomplished through common vertices of PO tetra-hedra and [FeO] octa-hedra. The framework is perforated by channels in which positionally disordered Ba cations are located.