Materials Data on Gd3GeO8 by Materials Project

Abstract

Gd3GeO8 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Gd–O bond distances ranging from 2.34–2.58 Å. In the second Gd site, Gd is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Gd–O bond distances ranging from 2.27–2.43 Å. Ge is bonded in a distorted trigonal bipyramidal geometry to five O atoms. There are a spread of Ge–O bond distances ranging from 1.81–1.89 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to one Gd and one Ge atom. In the second O site, O is bonded in a trigonal non-coplanar geometry to three Gd atoms. In the third O site, O is bonded to three Gd and one Ge atom to form a mixture of edge and corner-sharing OGd3Ge tetrahedra. In the fourth O site, O is bonded to three Gd and one Ge atom to form a mixture of edge and corner-sharing OGd3Ge tetrahedra. In the fifth O site, O is bonded in a trigonal non-coplanar geometry to three Gd atoms.