Materials Data on Rb2Be2O3 by Materials Project

Abstract

Rb2Be2O3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.87 Å) and two longer (2.98 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.80–3.24 Å. There are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.56 Å) and two longer (1.57 Å) Be–O bond length. In the second Be2+ site, Be2+ is bonded in a trigonal planar geometry to three O2- atoms. All Be–O bond lengths are 1.56 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Rb1+ and two Be2+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four Rb1+ and two Be2+ atoms.