Materials Data on Rb(CuO5)2 by Materials Project

Abstract

Rb(CuO5)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb is bonded in a 6-coordinate geometry to six O atoms. There are two shorter (2.81 Å) and four longer (3.04 Å) Rb–O bond lengths. Cu is bonded in a distorted square co-planar geometry to six O atoms. There are a spread of Cu–O bond distances ranging from 1.81–2.61 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Rb, one Cu, and one O atom. The O–O bond length is 1.39 Å. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu and one O atom. The O–O bond length is 1.25 Å. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Rb and two equivalent Cu atoms.