Materials Data on RbCoCl3O2 by Materials Project
RbCoO2Cl3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb is bonded in a distorted q6 geometry to two equivalent O and eight Cl atoms. Both Rb–O bond lengths are 3.23 Å. There are a spread of Rb–Cl bond distances ranging from 3.36–3.72 Å. Co is bonded to two equivalent O and four Cl atoms to form distorted corner-sharing CoCl4O2 octahedra. The corner-sharing octahedral tilt angles are 57°. Both Co–O bond lengths are 1.67 Å. There are two shorter (2.31 Å) and two longer (2.43 Å) Co–Cl bond lengths. O is bonded in a single-bond geometry to one Rb and one Co atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted see-saw-like geometry to two equivalent Rb and two equivalent Co atoms. In the second Cl site, Cl is bonded in a 1-coordinate geometry to three equivalent Rb and one Co atom.