Analysis of the magnetic structure of the manganese oxychalcogenides R2Mn2Se2O (R=LaO, BaF) by density functional calculations

► Spin exchange interactions of (LaO)2Mn2Se2O and (BaF)2Mn2Se2O. ► Magnetic structures of (LaO)2Mn2Se2O and (BaF)2Mn2Se2O. ► Spin orientation of (LaO)2Mn2Se2O and (BaF)2Mn2Se2O. ► Energy-mapping analysis based on DFT calculations.