Magnetic structure of fluorophosphate Na2MnPO4F sodium battery material

The magnetic structure and properties of fluorophosphate Na2MnPO4F sodium insertion material, assuming a monoclinic (s.g. P21/n, #14) framework, were examined with the help of magnetic susceptibility and neutron powder diffraction. A long-range antiferromagnetic ordering was observed below the Néel temperature (TN) ∼10.4 ​K. Low temperature neutron powder diffractograms were refined to obtain the magnetic structure of fluorophosphate Na2MnPO4F. Below the TN, a commensurate antiferromagnetic spin structure was observed with a propagation vector k = (0, 0, 0), described by the magnetic space group P21/c' (#14.78). The magnetic order is presumably driven by the superexchange interactions via corner-shared F atoms of the octahedral Mn2O8F2 chains running along b-axis. The magnetic structure and properties of Na2MnPO4F fluorophosphate sodium battery cathode material have been elucidated. [Display omitted] •Magnetic properties of Na2MnPO4F fluorophosphate cathode has been studied.•Low-temperature neutron powder diffraction study of Na2MnPO4F cathode.•Illustration of commensurate antiferromagnetic spin ordering below TN ∼10.4 ​K.•Determination of propagation vector k = (0,0,0) and magnetic space group P21/c’.