BiMnPO5 with ferromagnetic Mn2+–(μ-O)2–Mn2+ units: a model for magnetic exchange in edge-linked Mn2+O6 octahedra

Abstract

Magnetic interactions within Mn–(μ-O)₂–Mn pairs are crucial to the function of some essential enzymes and catalysts, but their nature is unclear. Neutron diffraction reveals that similar units in BiMnPO₅ show ferromagnetic coupling which has been rationalized by density functional theory modelling and calculations of magnetic exchange energies. The results are important to many solid state and biological systems.