Materials Data on Yb2S2O by Materials Project

Abstract

Yb2S2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a distorted single-bond geometry to five S2- and one O2- atom. There are a spread of Yb–S bond distances ranging from 2.83–3.15 Å. The Yb–O bond length is 2.03 Å. In the second Yb3+ site, Yb3+ is bonded in a 3-coordinate geometry to four S2- and three equivalent O2- atoms. There are a spread of Yb–S bond distances ranging from 2.78–3.16 Å. There are a spread of Yb–O bond distances ranging from 2.22–2.43 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five Yb3+ and one S2- atom. The S–S bond length is 2.15 Å. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four Yb3+ and one S2- atom. The S–S bond length is 2.15 Å. O2- is bonded to four Yb3+ atoms to form a mixture of distorted edge and corner-sharing OYb4 tetrahedra.