Materials Data on Sr2GdBeO5 by Materials Project

Abstract

Sr2BeGdO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.92 Å. Be is bonded in a tetrahedral geometry to four O atoms. There are a spread of Be–O bond distances ranging from 1.65–1.69 Å. Gd is bonded in a 7-coordinate geometry to eight O atoms. There are a spread of Gd–O bond distances ranging from 2.31–3.04 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to four equivalent Sr, one Be, and one Gd atom. In the second O site, O is bonded in a 5-coordinate geometry to four equivalent Sr and two equivalent Gd atoms. In the third O site, O is bonded in a 1-coordinate geometry to four equivalent Sr, one Be, and one Gd atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three equivalent Sr, one Be, and two equivalent Gd atoms.