Materials Data on Ni(IO3)2 by Materials Project

Abstract

Ni(IO3)2 crystallizes in the orthorhombic Pbcn space group. The structure is one-dimensional and consists of two Ni(IO3)2 ribbons oriented in the (1, 0, 0) direction. Ni2+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. There are two shorter (2.06 Å) and four longer (2.11 Å) Ni–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ni2+ and one I5+ atom. The O–I bond length is 1.87 Å. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni2+ and one I5+ atom. The O–I bond length is 1.85 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.81 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.