Materials Data on Rb4CO6 by Materials Project

Abstract

Rb4CO6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Rb sites. In the first Rb site, Rb is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Rb–O bond distances ranging from 2.71–3.28 Å. In the second Rb site, Rb is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Rb–O bond distances ranging from 2.75–3.11 Å. In the third 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 2.76–3.42 Å. In the fourth Rb site, Rb is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Rb–O bond distances ranging from 2.65–3.08 Å. C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.30 Å) and two longer (1.31 Å) C–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to three Rb and one C atom. In the second O site, O is bonded in a distorted rectangular see-saw-like geometry to four Rb atoms. 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 trigonal bipyramidal geometry to four Rb and one O atom. The O–O bond length is 1.33 Å. In the fifth O site, O is bonded in a 2-coordinate geometry to two Rb and one O atom. In the sixth O site, O is bonded in a distorted single-bond geometry to three Rb and one C atom.