Materials Data on Rb2Hg3Se4 by Materials Project

Abstract

Rb2Hg3Se4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.60–3.94 Å. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a tetrahedral geometry to four equivalent Se2- atoms. All Hg–Se bond lengths are 2.75 Å. In the second Hg2+ site, Hg2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Se2- atoms. There are two shorter (2.53 Å) and two longer (3.33 Å) Hg–Se bond lengths. Se2- is bonded in a 2-coordinate geometry to four equivalent Rb1+ and three Hg2+ atoms.