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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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4 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on S5N2ClO6 by Materials Project

N2(S)3S2O6Cl crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four ammonia molecules, six hydrogen sulfide molecules, and two S2O6Cl clusters. In each S2O6Cl cluster, there are two inequivalent S+1.40+ sites. In the first S+1.40+ site, S+1.40+ is bonded to four O2- atoms to form corner-sharing SO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.44–1.81 Å. In the second S+1.40+ site, S+1.40+ is bonded to three O2- and one Cl1- atom to form distorted corner-sharing SClO3 tetrahedra. There are a spread of S–O bond distances ranging from 1.43–1.57 Å. The S–Cl bond length is 2.05 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S+1.40+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two S+1.40+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one S+1.40+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S+1.40+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one S+1.40+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S+1.40+ atom. Cl1- is bonded in a single-bond geometry to one S+1.40+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SNClO by Materials Project

NSOCl is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four NSOCl clusters. there are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a bent 120 degrees geometry to two S2- atoms. Both N–S bond lengths are 1.58 Å. In the second N5+ site, N5+ is bonded in a bent 120 degrees geometry to two equivalent S2- atoms. Both N–S bond lengths are 1.59 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent N5+, one O2-, and one Cl1- atom to form corner-sharing SN2ClO tetrahedra. The S–O bond length is 1.43 Å. The S–Cl bond length is 2.04 Å. In the second S2- site, S2- is bonded to two N5+, one O2-, and one Cl1- atom to form corner-sharing SN2ClO tetrahedra. The S–O bond length is 1.43 Å. The S–Cl bond length is 2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one S2- atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one S2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SNClO4 by Materials Project

NClSO2O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four chloramine molecules, four hydrogen peroxide molecules, and four sulfur dioxide molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on S3N3Cl3O by Materials Project

N3S3OCl3 is alpha boron-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight N3S3OCl3 clusters. In four of the N3S3OCl3 clusters, there are three inequivalent N+3.67+ sites. In the first N+3.67+ site, N+3.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.58 Å) and one longer (1.62 Å) N–S bond length. In the second N+3.67+ site, N+3.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.58 Å) and one longer (1.62 Å) N–S bond length. In the third N+3.67+ site, N+3.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.60 Å) and one longer (1.61 Å) N–S bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to two N+3.67+ and one Cl1- atom. The S–Cl bond length is 2.16 Å. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two N+3.67+ and one Cl1- atom. The S–Cl bond length is 2.16 Å. In the third S2- site, S2- is bonded in a distorted tetrahedral geometry to two N+3.67+, one O2-, and one Cl1- atom. The S–O bond length is 1.43 Å. The S–Cl bond length is 2.05 Å. O2- is bonded in a single-bond geometry to one S2- atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one S2- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one S2- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one S2- atom. In four of the N3S3OCl3 clusters, there are three inequivalent N+3.67+ sites. In the first N+3.67+ site, N+3.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. Both N–S bond lengths are 1.61 Å. In the second N+3.67+ site, N+3.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.59 Å) and one longer (1.62 Å) N–S bond length. In the third N+3.67+ site, N+3.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.59 Å) and one longer (1.63 Å) N–S bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to two N+3.67+ and one Cl1- atom. The S–Cl bond length is 2.14 Å. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two N+3.67+ and one Cl1- atom. The S–Cl bond length is 2.14 Å. In the third S2- site, S2- is bonded in a distorted tetrahedral geometry to two N+3.67+, one O2-, and one Cl1- atom. The S–O bond length is 1.43 Å. The S–Cl bond length is 2.05 Å. O2- is bonded in a single-bond geometry to one S2- atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one S2- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one S2- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one S2- atom.

36 MATERIALS SCIENCE↗