Materials Data on Er2GeO5 by Materials Project

Abstract

Er2GeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.25–2.78 Å. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Er–O bond distances ranging from 2.23–2.54 Å. Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.73–1.82 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Er3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Er3+ and one Ge4+ atom. In the third O2- site, O2- is bonded to three Er3+ and one Ge4+ atom to form distorted OEr3Ge tetrahedra that share corners with three OEr3Ge tetrahedra and edges with two equivalent OEr4 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Er3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded to four Er3+ atoms to form OEr4 tetrahedra that share corners with five OEr3Ge tetrahedra and edges with three OEr4 tetrahedra.