Materials Data on Hg2Sb2O7 by Materials Project

Abstract

Hg2Sb2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hg2+ is bonded to eight O2- atoms to form distorted HgO8 hexagonal bipyramids that share edges with six equivalent HgO8 hexagonal bipyramids and edges with six equivalent SbO6 octahedra. There are two shorter (2.28 Å) and six longer (2.66 Å) Hg–O bond lengths. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent SbO6 octahedra and edges with six equivalent HgO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. All Sb–O bond lengths are 2.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Hg2+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded to four equivalent Hg2+ atoms to form corner-sharing OHg4 tetrahedra.