Materials Data on Sm2S2O by Materials Project

Abstract

Sm2S2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 1-coordinate geometry to six S2- and one O2- atom. There are a spread of Sm–S bond distances ranging from 2.82–2.99 Å. The Sm–O bond length is 2.32 Å. In the second Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to four S2- and three equivalent O2- atoms. There are a spread of Sm–S bond distances ranging from 2.85–3.20 Å. There are a spread of Sm–O bond distances ranging from 2.32–2.35 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Sm3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Sm3+ atoms. O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra.