Materials Data on Hg(ClO3)2 by Materials Project

Abstract

Hg(O3Cl)2 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two Hg(O3Cl)2 ribbons oriented in the (0, 1, 0) direction. Hg is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Hg–O bond distances ranging from 2.25–2.54 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted L-shaped geometry to one Hg and one Cl atom. The O–Cl bond length is 1.50 Å. In the second O site, O is bonded in a water-like geometry to one Hg and one Cl atom. The O–Cl bond length is 1.56 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Hg and one Cl atom. The O–Cl bond length is 1.60 Å. In the fourth O site, O is bonded in a water-like geometry to one Hg and one Cl atom. The O–Cl bond length is 1.50 Å. In the fifth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.49 Å. In the sixth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.48 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a trigonal non-coplanar geometry to three O atoms. In the second Cl site, Cl is bonded in a trigonal non-coplanar geometry to three O atoms.