Materials Data on Co(IO3)2 by Materials Project

Abstract

Co(IO3)2 is zeta iron carbide-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with twelve equivalent IO6 octahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are a spread of Co–O bond distances ranging from 2.00–2.35 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Co2+ and two equivalent I5+ atoms. There are one shorter (2.01 Å) and one longer (2.23 Å) O–I bond lengths. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Co2+ and two equivalent I5+ atoms. Both O–I bond lengths are 2.19 Å. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Co2+ and two equivalent I5+ atoms. There are one shorter (2.07 Å) and one longer (2.13 Å) O–I bond lengths. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Co2+ and two equivalent I5+ atoms. Both O–I bond lengths are 2.25 Å. I5+ is bonded to six O2- atoms to form IO6 octahedra that share corners with six equivalent CoO6 octahedra and edges with three equivalent IO6 octahedra. The corner-sharing octahedra tilt angles range from 48–56°.