Materials Data on Ce2S2O by Materials Project
Ce2S2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 1-coordinate geometry to six S2- and one O2- atom. There are a spread of Ce–S bond distances ranging from 2.84–2.95 Å. The Ce–O bond length is 2.35 Å. In the second Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to four S2- and three equivalent O2- atoms. There are a spread of Ce–S bond distances ranging from 2.88–3.07 Å. There are a spread of Ce–O bond distances ranging from 2.35–2.41 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Ce3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Ce3+ atoms. O2- is bonded to four Ce3+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.