Materials Data on RbMnCl3O2 by Materials Project

Abstract

RbMnO2Cl3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb is bonded in a distorted q6 geometry to one O and eight Cl atoms. The Rb–O bond length is 3.45 Å. There are a spread of Rb–Cl bond distances ranging from 3.40–3.61 Å. Mn is bonded to two O and four Cl atoms to form distorted edge-sharing MnCl4O2 octahedra. There is one shorter (1.72 Å) and one longer (1.73 Å) Mn–O bond length. There are a spread of Mn–Cl bond distances ranging from 2.29–2.54 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Mn atom. In the second O site, O is bonded in a single-bond geometry to one Rb and one Mn atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted single-bond geometry to three equivalent Rb and one Mn atom. In the second Cl site, Cl is bonded in a distorted rectangular see-saw-like geometry to three equivalent Rb and one Mn atom. In the third Cl site, Cl is bonded in a 4-coordinate geometry to two equivalent Rb and two equivalent Mn atoms.