Materials Data on Os4C13S2O13 by Materials Project

Abstract

Os4C13S2O13 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Os4C13S2O13 clusters. there are four inequivalent Os+1.50- sites. In the first Os+1.50- site, Os+1.50- is bonded in a rectangular see-saw-like geometry to four C+2.77+ atoms. There are a spread of Os–C bond distances ranging from 1.91–1.95 Å. In the second Os+1.50- site, Os+1.50- is bonded in a 5-coordinate geometry to three C+2.77+ and two S2- atoms. All Os–C bond lengths are 1.92 Å. There are one shorter (2.47 Å) and one longer (2.48 Å) Os–S bond lengths. In the third Os+1.50- site, Os+1.50- is bonded in a distorted square pyramidal geometry to three C+2.77+ and two S2- atoms. There is one shorter (1.90 Å) and two longer (1.91 Å) Os–C bond length. There are one shorter (2.49 Å) and one longer (2.50 Å) Os–S bond lengths. In the fourth Os+1.50- site, Os+1.50- is bonded in a 6-coordinate geometry to four C+2.77+ and two S2- atoms. There are a spread of Os–C bond distances ranging from 1.89–2.64 Å. There are one shorter (2.43 Å) and one longer (2.45 Å) Os–S bond lengths. There are thirteen inequivalent C+2.77+ sites. In the first C+2.77+ site, C+2.77+ is bonded in a linear geometry to one Os+1.50- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.77+ site, C+2.77+ is bonded in a linear geometry to one Os+1.50- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+2.77+ site, C+2.77+ is bonded in a distorted single-bond geometry to two Os+1.50- and one O2- atom. The C–O bond length is 1.17 Å. In the fourth C+2.77+ site, C+2.77+ is bonded in a linear geometry to one Os+1.50- and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+2.77+ site, C+2.77+ is bonded in a linear geometry to one Os+1.50- and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+2.77+ site, C+2.77+ is bonded in a linear geometry to one Os+1.50- and one O2- atom. The C–O bond length is 1.16 Å. In the seventh C+2.77+ site, C+2.77+ is bonded in a linear geometry to one Os+1.50- and one O2- atom. The C–O bond length is 1.16 Å. In the eighth C+2.77+ site, C+2.77+ is bonded in a linear geometry to one Os+1.50- and one O2- atom. The C–O bond length is 1.16 Å. In the ninth C+2.77+ site, C+2.77+ is bonded in a linear geometry to one Os+1.50- and one O2- atom. The C–O bond length is 1.16 Å. In the tenth C+2.77+ site, C+2.77+ is bonded in a distorted linear geometry to one Os+1.50- and one O2- atom. The C–O bond length is 1.16 Å. In the eleventh C+2.77+ site, C+2.77+ is bonded in a linear geometry to one Os+1.50- and one O2- atom. The C–O bond length is 1.16 Å. In the twelfth C+2.77+ site, C+2.77+ is bonded in a linear geometry to one Os+1.50- and one O2- atom. The C–O bond length is 1.16 Å. In the thirteenth C+2.77+ site, C+2.77+ is bonded in a linear geometry to one Os+1.50- and one O2- atom. The C–O bond length is 1.16 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three Os+1.50- atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three Os+1.50- and one O2- atom. The S–O bond length is 3.29 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ and one S2- atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom.