Materials Data on Rb4C2O9 by Materials Project

Abstract

Rb4C2O9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.13 Å. In the second Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.73–3.00 Å. In the third Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.45 Å. C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.28 Å) and one longer (1.34 Å) C–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four Rb and one O atom. The O–O bond length is 1.30 Å. In the second O site, O is bonded to five Rb and two equivalent O atoms to form distorted edge-sharing ORb5O2 pentagonal bipyramids. Both O–O bond lengths are 1.90 Å. In the third O site, O is bonded in a distorted single-bond geometry to four Rb and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three Rb and one C atom. In the fifth O site, O is bonded in a single-bond geometry to two equivalent Rb, one C, and one O atom.