Materials Data on Tm2S2O by Materials Project

Abstract

Tm2S2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 1-coordinate geometry to six S2- and one O2- atom. There are a spread of Tm–S bond distances ranging from 2.70–2.93 Å. The Tm–O bond length is 2.22 Å. In the second Tm3+ site, Tm3+ is bonded in a 7-coordinate geometry to three S2- and three equivalent O2- atoms. There are a spread of Tm–S bond distances ranging from 2.74–2.92 Å. There are a spread of Tm–O bond distances ranging from 2.22–2.26 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Tm3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four Tm3+ atoms. O2- is bonded to four Tm3+ atoms to form a mixture of corner and edge-sharing OTm4 tetrahedra.