Materials Data on Na2Hg3(S2O)2 by Materials Project

Abstract

Na2Hg3(S2O)2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Na1+ is bonded to four equivalent S1- and two equivalent O2- atoms to form distorted NaS4O2 octahedra that share edges with two equivalent ONa2S2 tetrahedra and faces with two equivalent NaS4O2 octahedra. There are two shorter (2.93 Å) and two longer (2.98 Å) Na–S bond lengths. There are one shorter (2.58 Å) and one longer (2.74 Å) Na–O bond lengths. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent S1- atoms. All Hg–S bond lengths are 2.82 Å. In the second Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to two equivalent S1- atoms. Both Hg–S bond lengths are 2.97 Å. S1- is bonded in a distorted single-bond geometry to two equivalent Na1+, two Hg2+, and one O2- atom. The S–O bond length is 1.76 Å. O2- is bonded to two equivalent Na1+ and two equivalent S1- atoms to form ONa2S2 tetrahedra that share corners with two equivalent ONa2S2 tetrahedra and edges with two equivalent NaS4O2 octahedra.