Materials Data on Ca2EuBeO5 by Materials Project

Abstract

Ca2BeEuO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ca–O bond distances ranging from 2.48–2.82 Å. Be is bonded in a tetrahedral geometry to four O atoms. There are a spread of Be–O bond distances ranging from 1.63–1.67 Å. Eu is bonded in a 7-coordinate geometry to eight O atoms. There are a spread of Eu–O bond distances ranging from 2.34–2.86 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 6-coordinate geometry to four equivalent Ca and two equivalent Eu atoms. In the second O site, O is bonded in a 1-coordinate geometry to four equivalent Ca, one Be, and one Eu atom. In the third O site, O is bonded in a distorted single-bond geometry to four equivalent Ca, one Be, and one Eu atom. In the fourth O site, O is bonded in a 1-coordinate geometry to three equivalent Ca, one Be, and two equivalent Eu atoms.