Materials Data on Rb2Mo3O11 by Materials Project

Abstract

Rb2Mo3O11 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first 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 2.93–3.37 Å. In the second 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 2.99–3.29 Å. There are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.27 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.27 Å. In the third Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.34 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Rb and three Mo atoms. In the second O site, O is bonded in a 4-coordinate geometry to one Rb and three Mo atoms. In the third O site, O is bonded in a distorted single-bond geometry to one Rb and one Mo atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Rb and one Mo atom. In the fifth O site, O is bonded in a distorted water-like geometry to two Rb atoms. In the sixth O site, O is bonded in a 3-coordinate geometry to three Mo atoms. In the seventh O site, O is bonded in a 3-coordinate geometry to three Mo atoms. In the eighth O site, O is bonded in a distorted single-bond geometry to three Rb and one Mo atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one Rb and one Mo atom. In the tenth O site, O is bonded in a distorted single-bond geometry to three Rb and one Mo atom. In the eleventh O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one Mo atom.