Materials Data on YbO2 by Materials Project

Abstract

YbO2 is Baddeleyite-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Yb–O bond distances ranging from 2.30–2.36 Å. In the second Yb site, Yb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Yb–O bond distances ranging from 2.30–2.35 Å. In the third Yb site, Yb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Yb–O bond distances ranging from 2.31–2.35 Å. There are six inequivalent O sites. In the first O site, O is bonded to four Yb atoms to form a mixture of corner and edge-sharing OYb4 tetrahedra. In the second O site, O is bonded to four Yb atoms to form a mixture of corner and edge-sharing OYb4 tetrahedra. In the third O site, O is bonded to four Yb atoms to form a mixture of corner and edge-sharing OYb4 tetrahedra. In the fourth O site, O is bonded in a distorted trigonal planar geometry to three Yb atoms. In the fifth O site, O is bonded in a distorted trigonal planar geometry to three Yb atoms. In the sixth O site, O is bonded in a distorted trigonal planar geometry to three Yb atoms.