Materials Data on Na3CoC2ClO6 by Materials Project

Abstract

Na3CoC2O6Cl crystallizes in the cubic Fd-3 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to four equivalent O2- and two equivalent Cl1- atoms. There are two shorter (2.39 Å) and two longer (2.45 Å) Na–O bond lengths. Both Na–Cl bond lengths are 2.85 Å. Co2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Co–O bond lengths are 2.12 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+, one Co2+, and one C4+ atom. Cl1- is bonded to six equivalent Na1+ atoms to form distorted corner-sharing ClNa6 octahedra. The corner-sharing octahedral tilt angles are 58°.