Materials Data on Cs2BeO2 by Materials Project

Abstract

Cs2BeO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first 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 2.99–3.39 Å. In the second Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.01–3.55 Å. Be2+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There is one shorter (1.52 Å) and two longer (1.61 Å) Be–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Cs1+ and two equivalent Be2+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to seven Cs1+ and one Be2+ atom.