Materials Data on RbAu(CN)2 by Materials Project

Abstract

RbAu(CN)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Rb–N bond distances ranging from 3.02–3.21 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Rb–N bond distances ranging from 3.05–3.29 Å. There are three inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a distorted linear geometry to two equivalent C3+ atoms. Both Au–C bond lengths are 1.99 Å. In the second Au1- site, Au1- is bonded in a linear geometry to two C3+ atoms. Both Au–C bond lengths are 1.99 Å. In the third Au1- site, Au1- is bonded in a linear geometry to two equivalent C3+ atoms. Both Au–C bond lengths are 1.99 Å. There are four inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a distorted single-bond geometry to one Au1- and one N3- atom. The C–N bond length is 1.17 Å. In the second C3+ site, C3+ is bonded in a single-bond geometry to one Au1- and one N3- atom. The C–N bond length is 1.18 Å. In the third C3+ site, C3+ is bonded in a distorted single-bond geometry to one Au1- and one N3- atom. The C–N bond length is 1.18 Å. In the fourth C3+ site, C3+ is bonded in a single-bond geometry to one Au1- and one N3- atom. The C–N bond length is 1.17 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C3+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C3+ atom. In the third N3- site, N3- is bonded in a 1-coordinate geometry to three Rb1+ and one C3+ atom. In the fourth N3- site, N3- is bonded in a 1-coordinate geometry to three Rb1+ and one C3+ atom.