Materials Data on Rb4Sn(SO)4 by Materials Project
Rb4Sn(SO)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to three S and one O2- atom. There are a spread of Rb–S bond distances ranging from 3.17–3.36 Å. The Rb–O bond length is 2.82 Å. In the second Rb1+ site, Rb1+ is bonded in a distorted single-bond geometry to one O2- atom. The Rb–O bond length is 2.74 Å. In the third Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to one S and five O2- atoms. The Rb–S bond length is 3.33 Å. There are a spread of Rb–O bond distances ranging from 2.74–3.33 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.12 Å. Sn4+ is bonded in a distorted trigonal non-coplanar geometry to three S atoms. There are a spread of Sn–S bond distances ranging from 2.40–2.56 Å. There are four inequivalent S sites. In the first S site, S is bonded in a distorted single-bond geometry to one Rb1+, one Sn4+, and one O2- atom. The S–O bond length is 1.61 Å. In the second S site, S is bonded in a distorted bent 150 degrees geometry to one Rb1+ and one Sn4+ atom. In the third S site, S is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.51 Å) and one longer (1.52 Å) S–O bond length. In the fourth S site, S is bonded in a distorted single-bond geometry to two Rb1+, one Sn4+, and one O2- atom. The S–O bond length is 1.61 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Rb1+ and one S atom. In the second O2- site, O2- is bonded in a distorted tetrahedral geometry to three Rb1+ and one S atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and one S atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one S atom.