Materials Data on CeSO6 by Materials Project

Abstract

CeSO6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ce–O bond distances ranging from 2.24–2.73 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.47–1.50 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Ce and one S atom. In the second O site, O is bonded in a 2-coordinate geometry to one Ce and one S atom. In the third O site, O is bonded in a 2-coordinate geometry to one Ce and one S atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Ce and one S 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 distorted trigonal non-coplanar geometry to three equivalent Ce atoms.