Materials Data on Y2S2O by Materials Project

Abstract

Y2S2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 1-coordinate geometry to six S2- and one O2- atom. There are a spread of Y–S bond distances ranging from 2.75–2.96 Å. The Y–O bond length is 2.27 Å. In the second Y3+ site, Y3+ is bonded in a 7-coordinate geometry to three S2- and three equivalent O2- atoms. There are a spread of Y–S bond distances ranging from 2.79–2.97 Å. There are a spread of Y–O bond distances ranging from 2.26–2.30 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Y3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four Y3+ atoms. O2- is bonded to four Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra.