Materials Data on Sn5(S2Cl)2 by Materials Project

Sn5(S2Cl)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted trigonal pyramidal geometry to four S2- atoms. There are a spread of Sn–S bond distances ranging from 2.69–3.01 Å. In the second Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sn–S bond distances ranging from 2.58–3.21 Å. In the third Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sn–S bond distances ranging from 2.58–3.15 Å. In the fourth Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to two S2- and two Cl1- atoms. There are one shorter (2.67 Å) and one longer (2.88 Å) Sn–S bond lengths. There are one shorter (2.63 Å) and one longer (3.08 Å) Sn–Cl bond lengths. In the fifth Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to two S2- and two Cl1- atoms. There are one shorter (2.67 Å) and one longer (2.90 Å) Sn–S bond lengths. There are one shorter (2.64 Å) and one longer (3.06 Å) Sn–Cl bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to four Sn2+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to four Sn2+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to four Sn2+ atoms. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to four Sn2+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two Sn2+ atoms. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two Sn2+ atoms.