Zirconium(III) iodide

Zirconium(III) iodide is an inorganic compound with the formula ZrI3.

[3][4] Zirconium(III) iodide has a lower magnetic moment than is expected for the d1 metal ion Zr3+, indicating non-negligible Zr–Zr bonding.

[2] The crystal structure of zirconium(III) iodide is based on hexagonal close packing of iodide ions with one third of the octahedral interstices occupied by Zr3+ ions.

[2] The structure consists of parallel chains of face-sharing {ZrI6} octahedra[5] with unequally spaced metal atoms.

[2] In all three ZrX3 there is some elongation of the octahedra along the metal-metal axis, partly due to metal-metal repulsion,[4] but the elongation is most pronounced in the chloride, moderate in the bromide and negligible in the iodide.

Ball-and-stick model of a polymer chain of face-sharing octahedra in the crystal structure of zirconium(III) iodide
Ball-and-stick model of a polymer chain of face-sharing octahedra in the crystal structure of zirconium(III) iodide
Ball-and-stick model of the packing of polymer chains in the crystal structure of zirconium(III) iodide
Ball-and-stick model of the packing of polymer chains in the crystal structure of zirconium(III) iodide