Materials Data on Cs4GeO4 by Materials Project

Abstract

Cs4GeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.03–3.59 Å. In the second Cs1+ site, Cs1+ is bonded to four O2- atoms to form distorted CsO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra and edges with two equivalent CsO4 tetrahedra. There are a spread of Cs–O bond distances ranging from 2.95–3.17 Å. In the third Cs1+ site, Cs1+ is bonded in a 5-coordinate geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 2.93–3.04 Å. In the fourth Cs1+ site, Cs1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 2.92–3.57 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent CsO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.80–1.83 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Cs1+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Cs1+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to five Cs1+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to five Cs1+ and one Ge4+ atom.