Materials Data on Pr2S2O by Materials Project
Pr2S2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 1-coordinate geometry to six S2- and one O2- atom. There are a spread of Pr–S bond distances ranging from 2.88–3.05 Å. The Pr–O bond length is 2.37 Å. In the second Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to four S2- and three equivalent O2- atoms. There are a spread of Pr–S bond distances ranging from 2.91–3.27 Å. There are one shorter (2.38 Å) and two longer (2.40 Å) Pr–O bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Pr3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Pr3+ atoms. O2- is bonded to four Pr3+ atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra.