Ca2MnO3X (X = Cl, Br) Oxyhalides with 1-Dimensional Ferromagnetic Chains of Square-Planar S = 2 Mn3

J Am Chem Soc. 2023 Oct 25;145(42):23346-23351. doi: 10.1021/jacs.3c09088. Epub 2023 Oct 13.

Abstract

Mixed anion oxyhalides with the formula Ca2MnO3X (X = Cl, Br) are synthesized using solid-state reaction methods. These two materials crystallize in a novel structure type due to the small ionic radius of Ca and the strong Jahn-Teller effect of Mn3+. The resulting structure (space group Cmcm) contains one-dimensional chains of MnO4 square planes, with an angle of ∼120° between neighboring planes. At low temperatures, the two materials adopt magnetic arrangements, with ferromagnetic chains coupled antiferromagnetically. On applying a magnetic field, both materials experience spin-flop transitions.