DOI: 10.17188/1699743
title: Materials Data on H2Os3C9SO9 by Materials Project

description: Os3C9H2SO9 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight Os3C9H2SO9 clusters. there are three inequivalent Os+0.67- sites. In the first Os+0.67- site, Os+0.67- is bonded in a 5-coordinate geometry to three C+2.22+, one H1+, and one S2- atom. There are a spread of Os–C bond distances ranging from 1.90–1.92 Å. The Os–H bond length is 1.85 Å. The Os–S bond length is 2.40 Å. In the second Os+0.67- site, Os+0.67- is bonded in an octahedral geometry to three C+2.22+, two H1+, and one S2- atom. There is two shorter (1.92 Å) and one longer (1.93 Å) Os–C bond length. There is one shorter (1.82 Å) and one longer (1.83 Å) Os–H bond length. The Os–S bond length is 2.41 Å. In the third Os+0.67- site, Os+0.67- is bonded in a 5-coordinate geometry to three C+2.22+, one H1+, and one S2- atom. There are a spread of Os–C bond distances ranging from 1.90–1.92 Å. The Os–H bond length is 1.86 Å. The Os–S bond length is 2.39 Å. There are nine inequivalent C+2.22+ sites. In the first C+2.22+ site, C+2.22+ is bonded in a linear geometry to one Os+0.67- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os+0.67- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os+0.67- and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+2.22+ site, C+2.22+ is bonded in a linear geometry to one Os+0.67- and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os+0.67- and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+2.22+ site, C+2.22+ is bonded in a linear geometry to one Os+0.67- and one O2- atom. The C–O bond length is 1.16 Å. In the seventh C+2.22+ site, C+2.22+ is bonded in a linear geometry to one Os+0.67- and one O2- atom. The C–O bond length is 1.16 Å. In the eighth C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os+0.67- and one O2- atom. The C–O bond length is 1.16 Å. In the ninth C+2.22+ site, C+2.22+ is bonded in a linear geometry to one Os+0.67- and one O2- atom. The C–O bond length is 1.16 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a water-like geometry to two Os+0.67- atoms. In the second H1+ site, H1+ is bonded in a water-like geometry to two Os+0.67- atoms. S2- is bonded in a 4-coordinate geometry to three Os+0.67- atoms. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom.