Materials Data on Hg2ClO6 by Materials Project

Abstract

(HgO)2ClO4 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of eight ClO4 clusters and two HgO ribbons oriented in the (1, 0, 0) direction. In each ClO4 cluster, there are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.45 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.46 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.48 Å. In the fourth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.47 Å. Cl is bonded in a tetrahedral geometry to four O atoms. In each HgO ribbon, there are four inequivalent Hg sites. In the first Hg site, Hg is bonded in a linear geometry to two equivalent O atoms. There are one shorter (2.09 Å) and one longer (2.10 Å) Hg–O bond lengths. In the second Hg site, Hg is bonded in a distorted linear geometry to two O atoms. There are one shorter (2.09 Å) and one longer (2.10 Å) Hg–O bond lengths. In the third Hg site, Hg is bonded in a linear geometry to two O atoms. There are one shorter (2.01 Å) and one longer (2.07 Å) Hg–O bond lengths. In the fourth Hg site, Hg is bonded in a linear geometry to two O atoms. There are one shorter (2.02 Å) and one longer (2.08 Å) Hg–O bond lengths. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Hg atom. In the second O site, O is bonded in a distorted single-bond geometry to one Hg atom. In the third O site, O is bonded in a trigonal planar geometry to three Hg atoms. In the fourth O site, O is bonded in a trigonal planar geometry to three Hg atoms.