Materials Data on Rb2Hg(CN)4 by Materials Project

Abstract

Rb2Hg(CN)4 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six N3- atoms to form distorted edge-sharing RbN6 octahedra. There are two shorter (3.06 Å) and four longer (3.15 Å) Rb–N bond lengths. In the second Rb1+ site, Rb1+ is bonded to six equivalent N3- atoms to form distorted edge-sharing RbN6 octahedra. All Rb–N bond lengths are 3.09 Å. Hg2+ is bonded in a tetrahedral geometry to four C2+ atoms. There are three shorter (2.19 Å) and one longer (2.20 Å) Hg–C bond lengths. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one Hg2+ and one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one Hg2+ and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to three Rb1+ and one C2+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one C2+ atom.