Materials Data on Rb3Mn2Cl7 by Materials Project

Abstract

Rb3Mn2Cl7 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two RbCl sheets oriented in the (0, 0, 1) direction and four RbMnCl3 sheets oriented in the (0, 0, 1) direction. In each RbCl sheet, Rb1+ is bonded in a square co-planar geometry to four equivalent Cl1- atoms. All Rb–Cl bond lengths are 3.43 Å. Cl1- is bonded in a square co-planar geometry to four equivalent Rb1+ atoms. In each RbMnCl3 sheet, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are four shorter (3.39 Å) and four longer (3.47 Å) Rb–Cl bond lengths. Mn2+ is bonded to five Cl1- atoms to form corner-sharing MnCl5 square pyramids. There are one shorter (2.42 Å) and four longer (2.47 Å) Mn–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Mn2+ atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two equivalent Mn2+ atoms.