Materials Data on Rb2ZnI4 by Materials Project

Abstract

Rb2ZnI4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Rb–I bond distances ranging from 3.83–4.30 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.69–4.38 Å. Zn2+ is bonded in a tetrahedral geometry to four I1- atoms. There are one shorter (2.64 Å) and three longer (2.65 Å) Zn–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to five Rb1+ and one Zn2+ atom. In the second I1- site, I1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the third I1- site, I1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom.