Materials Data on Sr2SmBeO5 by Materials Project

Abstract

Sr2BeSmO5 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 2.58–2.91 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. Sm is bonded in a 7-coordinate geometry to eight O atoms. There are a spread of Sm–O bond distances ranging from 2.41–2.93 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to four equivalent Sr, one Be, and one Sm atom. In the second O site, O is bonded in a 6-coordinate geometry to four equivalent Sr and two equivalent Sm atoms. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent Sr, one Be, and two equivalent Sm atoms. In the fourth O site, O is bonded in a distorted single-bond geometry to four equivalent Sr, one Be, and one Sm atom.