BiMnPO5with ferromagnetic Mn2+-(μ-O)2-Mn2+units: a model for magnetic exchange in edge-linked Mn2+O6octahedra

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 BiMnPO5show 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.