Materials Data on Rb2MnI4 by Materials Project
Rb2MnI4 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 6-coordinate geometry to six I1- atoms. There are a spread of Rb–I bond distances ranging from 3.69–3.84 Å. In the second 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 3.77–4.36 Å. Mn2+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Mn–I bond distances ranging from 2.68–2.70 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to two Rb1+ and one Mn2+ atom. In the second I1- site, I1- is bonded to four Rb1+ and one Mn2+ atom to form a mixture of distorted face, edge, and corner-sharing IRb4Mn square pyramids. In the third I1- site, I1- is bonded in a 3-coordinate geometry to four Rb1+ and one Mn2+ atom.