X-ray single-crystal structure and magnetic properties of Fe[CH3PO3)].H2O: A layered weak ferromagnet

The crystal and molecular structure of the layered weak-ferromagnet Fe[CH3PO3]·H2O has been solved by X-ray single-crystal diffraction techniques. Crystal data for Fe[CH3PO3]·H2O are the following:  orthorhombic space group Pna21; a =17.538(2), b = 4.814(1), c = 5.719(1) A. The structure is lamellar, and it consists of alternating organic and inorganic layers along the a direction of the unit cell. The inorganic layers are made of Fe(II) ions octahedrally coordinated by five phosphonate oxygen atoms and one from oxygen of the water molecule. Each phosphonate group coordinates four metal ions, through chelation and bridging, making in this way a cross-linked Fe−O network. The resultant layers are then separated by bilayers of the methyl groups, with van der Waals contacts between them. The compound is air stable, and it dehydrates under inert atmosphere at temperatures above 120 °C. The oxidation state of the metal ion is +2, and the electronic configuration is d6 high spin (S = 2), as determined from dc m...