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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CSO by Materials Project

CSO crystallizes in the trigonal R3m space group. The structure is one-dimensional and consists of three CSO ribbons oriented in the (0, 0, 1) direction. C4+ is bonded in a distorted linear geometry to one S2- and one O2- atom. The C–S bond length is 1.56 Å. The C–O bond length is 1.18 Å. S2- is bonded in a linear geometry to one C4+ and one O2- atom. The S–O bond length is 3.34 Å. O2- is bonded in a single-bond geometry to one C4+ and one S2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CSO by Materials Project

CSO crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one CSO ribbon oriented in the (1, 1, 1) direction. C4+ is bonded in a distorted linear geometry to one S2- and one O2- atom. The C–S bond length is 1.56 Å. The C–O bond length is 1.18 Å. S2- is bonded in a 2-coordinate geometry to one C4+ and one O2- atom. The S–O bond length is 3.22 Å. O2- is bonded in a single-bond geometry to one C4+ and one S2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on C4SO2 by Materials Project

C2S(CO)2C4SO2 crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of four dimethyl sulfide molecules, eight formaldehyde molecules, and four C4SO2 clusters. In each C4SO2 cluster, there are four inequivalent C+1.50+ sites. In the first C+1.50+ site, C+1.50+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.22 Å. In the second C+1.50+ site, C+1.50+ is bonded in a distorted single-bond geometry to one S2- atom. The C–S bond length is 1.73 Å. In the third C+1.50+ site, C+1.50+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.21 Å. In the fourth C+1.50+ site, C+1.50+ is bonded in a distorted single-bond geometry to one S2- atom. The C–S bond length is 1.73 Å. S2- is bonded in a 4-coordinate geometry to two C+1.50+ and two O2- atoms. There are one shorter (3.08 Å) and one longer (3.41 Å) S–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ and one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ and one S2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on C3S3O2 by Materials Project

C3S3O2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four C3S3O2 ribbons oriented in the (1, 1, 0) direction. there are three inequivalent C+3.33+ sites. In the first C+3.33+ site, C+3.33+ is bonded in a distorted single-bond geometry to one S2- and one O2- atom. The C–S bond length is 1.78 Å. The C–O bond length is 1.21 Å. In the second C+3.33+ site, C+3.33+ is bonded in a trigonal planar geometry to three S2- atoms. There is one shorter (1.63 Å) and two longer (1.75 Å) C–S bond length. In the third C+3.33+ site, C+3.33+ is bonded in a distorted single-bond geometry to one S2- and one O2- atom. The C–S bond length is 1.78 Å. The C–O bond length is 1.21 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to two C+3.33+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to two C+3.33+ atoms. In the third S2- site, S2- is bonded in a distorted single-bond geometry to one C+3.33+ and one O2- atom. The S–O bond length is 3.47 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+3.33+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+3.33+ and one S2- atom.

36 MATERIALS SCIENCE↗