Materials Data on RbSb3S5O by Materials Project

RbSb3S5O crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb1+ is bonded in a 2-coordinate geometry to three S2- and two equivalent O2- atoms. There are a spread of Rb–S bond distances ranging from 3.35–3.90 Å. There are one shorter (2.80 Å) and one longer (2.90 Å) Rb–O bond lengths. There are three inequivalent Sb+3.67+ sites. In the first Sb+3.67+ site, Sb+3.67+ is bonded in an L-shaped geometry to two S2- atoms. There are one shorter (2.40 Å) and one longer (2.51 Å) Sb–S bond lengths. In the second Sb+3.67+ site, Sb+3.67+ is bonded to five S2- atoms to form distorted edge-sharing SbS5 square pyramids. There are a spread of Sb–S bond distances ranging from 2.46–3.15 Å. In the third Sb+3.67+ site, Sb+3.67+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.46–3.02 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one Rb1+ and three Sb+3.67+ atoms. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Rb1+ and two equivalent Sb+3.67+ atoms. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to one Rb1+ and three Sb+3.67+ atoms. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to two Sb+3.67+ atoms. In the fifth S2- site, S2- is bonded in a distorted single-bond geometry to one Sb+3.67+ and one O2- atom. The S–O bond length is 1.53 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and one S2- atom.