Materials Data on Gd(BO2)6 by Materials Project

Abstract

Gd(BO2)6 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Gd is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Gd–O bond distances ranging from 2.35–2.55 Å. There are two inequivalent B sites. In the first B site, B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.44–1.51 Å. In the second B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.36–1.39 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Gd and one B atom. In the second O site, O is bonded in a 2-coordinate geometry to one Gd and two B atoms. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Gd and two B atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two B atoms.