Materials Data on Os3C10SO10 by Materials Project

Abstract

Os3C10SO10 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one Os3C10SO10 cluster. there are three inequivalent Os+0.67- sites. In the first Os+0.67- site, Os+0.67- is bonded to four C+2.40+ and one S2- atom to form distorted edge-sharing OsC4S trigonal bipyramids. There are three shorter (1.92 Å) and one longer (2.21 Å) Os–C bond lengths. The Os–S bond length is 2.41 Å. In the second Os+0.67- site, Os+0.67- is bonded to four C+2.40+ and one S2- atom to form distorted edge-sharing OsC4S trigonal bipyramids. There are a spread of Os–C bond distances ranging from 1.91–2.22 Å. The Os–S bond length is 2.42 Å. In the third Os+0.67- site, Os+0.67- is bonded to four C+2.40+ and one S2- atom to form distorted edge-sharing OsC4S trigonal bipyramids. There are a spread of Os–C bond distances ranging from 1.91–2.21 Å. The Os–S bond length is 2.42 Å. There are ten inequivalent C+2.40+ sites. In the first C+2.40+ site, C+2.40+ 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+2.40+ site, C+2.40+ 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 third C+2.40+ site, C+2.40+ 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+2.40+ site, C+2.40+ 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+2.40+ site, C+2.40+ 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+2.40+ site, C+2.40+ 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 seventh C+2.40+ site, C+2.40+ is bonded in a distorted single-bond geometry to three Os+0.67- and one O2- atom. The C–O bond length is 1.21 Å. In the eighth C+2.40+ site, C+2.40+ 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+2.40+ site, C+2.40+ 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 tenth C+2.40+ site, C+2.40+ 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. S2- is bonded in a 5-coordinate geometry to three Os+0.67- and one O2- atom. The S–O bond length is 3.33 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ and one S2- atom.