Materials Data on NaHg2IO2 by Materials Project

Abstract

NaHg2O2I crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Na1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- and four equivalent I1- atoms. All Na–O bond lengths are 2.45 Å. All Na–I bond lengths are 3.81 Å. Hg2+ is bonded in a linear geometry to two equivalent O2- and three equivalent I1- atoms. Both Hg–O bond lengths are 2.08 Å. There are two shorter (3.39 Å) and one longer (3.42 Å) Hg–I bond lengths. O2- is bonded to two equivalent Na1+ and two equivalent Hg2+ atoms to form a mixture of edge and corner-sharing ONa2Hg2 tetrahedra. I1- is bonded in a 6-coordinate geometry to four equivalent Na1+ and six equivalent Hg2+ atoms.