Materials Data on Hg4SbHO6 by Materials Project
Hg4SbHO6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.27 Å) and one longer (2.30 Å) Hg–O bond lengths. In the second Hg2+ site, Hg2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Hg–O bond distances ranging from 2.10–2.41 Å. In the third Hg2+ site, Hg2+ is bonded to one H1+ and four O2- atoms to form HgHO4 square pyramids that share corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–55°. The Hg–H bond length is 2.01 Å. There are a spread of Hg–O bond distances ranging from 2.12–2.36 Å. In the fourth Hg2+ site, Hg2+ is bonded in a distorted trigonal non-coplanar geometry to one H1+ and two O2- atoms. The Hg–H bond length is 1.67 Å. There are one shorter (2.10 Å) and one longer (2.35 Å) Hg–O bond lengths. Sb3+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with four equivalent HgHO4 square pyramids. There are a spread of Sb–O bond distances ranging from 1.95–2.18 Å. H1+ is bonded in a bent 120 degrees geometry to two Hg2+ atoms. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Hg2+ and one Sb3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Hg2+ and one Sb3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Hg2+ and one Sb3+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two Hg2+ and one Sb3+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Hg2+ and one Sb3+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Hg2+ and one Sb3+ atom.