Materials Data on HgSeO3 by Materials Project

Abstract

HgSeO3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two HgSeO3 ribbons oriented in the (0, 1, 0) direction. Hg2+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.10 Å) and one longer (2.11 Å) Hg–O bond lengths. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.69–1.78 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Se4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Hg2+ and one Se4+ atom.