Materials Data on Sr2LaBeO5 by Materials Project

Abstract

Sr2BeLaO5 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 2.59–2.94 Å. Be is bonded in a tetrahedral geometry to four O atoms. There are a spread of Be–O bond distances ranging from 1.65–1.68 Å. La is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of La–O bond distances ranging from 2.47–2.88 Å. There are four inequivalent O sites. In the first O site, O is bonded to four equivalent Sr and two equivalent La atoms to form distorted corner-sharing OSr4La2 octahedra. The corner-sharing octahedra tilt angles range from 34–44°. In the second O site, O is bonded in a distorted single-bond geometry to three equivalent Sr, one Be, and two equivalent La atoms. In the third O site, O is bonded in a distorted single-bond geometry to four equivalent Sr, one Be, and one La atom. In the fourth O site, O is bonded in a distorted single-bond geometry to four equivalent Sr, one Be, and one La atom.