Materials Data on Rb2AgAu3I8 by Materials Project

Abstract

Rb2Au3AgI8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten I1- atoms. There are a spread of Rb–I bond distances ranging from 3.83–4.17 Å. There are two inequivalent Au+1.67+ sites. In the first Au+1.67+ site, Au+1.67+ is bonded in a distorted linear geometry to three I1- atoms. There are two shorter (2.61 Å) and one longer (3.61 Å) Au–I bond lengths. In the second Au+1.67+ site, Au+1.67+ is bonded in a distorted square co-planar geometry to four I1- atoms. There are two shorter (2.69 Å) and two longer (2.70 Å) Au–I bond lengths. Ag1+ is bonded in a tetrahedral geometry to four I1- atoms. There are two shorter (2.88 Å) and two longer (2.91 Å) Ag–I bond lengths. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Rb1+, one Au+1.67+, and one Ag1+ atom. In the second I1- site, I1- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Rb1+ and one Au+1.67+ atom. In the third I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Au+1.67+, and one Ag1+ atom. In the fourth I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Au+1.67+ atoms.