Materials Data on Tb2S2O by Materials Project
Tb2S2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to four S2- and three equivalent O2- atoms. There are a spread of Tb–S bond distances ranging from 2.80–3.18 Å. There are two shorter (2.28 Å) and one longer (2.30 Å) Tb–O bond lengths. In the second Tb3+ site, Tb3+ is bonded in a 1-coordinate geometry to six S2- and one O2- atom. There are a spread of Tb–S bond distances ranging from 2.77–2.96 Å. The Tb–O bond length is 2.27 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Tb3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to five Tb3+ atoms. O2- is bonded to four Tb3+ atoms to form a mixture of edge and corner-sharing OTb4 tetrahedra.