Materials Data on CeCr2O10 by Materials Project

Abstract

CeCr2O10 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one CeCr2O10 sheet oriented in the (0, 0, 1) direction. Ce is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ce–O bond distances ranging from 2.27–2.40 Å. Cr is bonded in a tetrahedral geometry to four O atoms. There are a spread of Cr–O bond distances ranging from 1.59–1.70 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to one Ce and one Cr atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Ce and one Cr atom. In the third O site, O is bonded in a single-bond geometry to one Cr atom. In the fourth O site, O is bonded in a distorted linear geometry to one Ce and one Cr atom. In the fifth O site, O is bonded in a single-bond geometry to one Ce atom. In the sixth O site, O is bonded in a single-bond geometry to one Ce atom.