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Results for “Cl-Fe-N-S”

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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5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on FeS3N2Cl5 by Materials Project

FeCl4N2S3Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tetrachloroiron molecules and four N2S3Cl clusters. In each N2S3Cl cluster, there are two inequivalent N4+ sites. In the first N4+ site, N4+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.58 Å) and one longer (1.63 Å) N–S bond length. In the second N4+ site, N4+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.57 Å) and one longer (1.59 Å) N–S bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one N4+ and one Cl1- atom. The S–Cl bond length is 2.12 Å. In the second S2- site, S2- is bonded in a single-bond geometry to one N4+ atom. In the third S2- site, S2- is bonded in a water-like geometry to two N4+ atoms. Cl1- is bonded in a single-bond geometry to one S2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeS3(NCl2)2 by Materials Project

FeCl4N2S3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight tetrachloroiron molecules and eight N2S3 clusters. In each N2S3 cluster, there are two inequivalent N4+ sites. In the first N4+ site, N4+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.58 Å) and one longer (1.60 Å) N–S bond length. In the second N4+ site, N4+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.58 Å) and one longer (1.60 Å) N–S bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two N4+ atoms. In the second S2- site, S2- is bonded in a single-bond geometry to one N4+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to one N4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeS4N4Cl3 by Materials Project

FeCl3(NS)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and four iron trichloride molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeS4N4Cl3 by Materials Project

FeCl3(NS)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and four iron trichloride molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeS4N4Cl5 by Materials Project

FeCl4N4S4Cl crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two tetrachloroiron molecules and two N4S4Cl clusters. In each N4S4Cl cluster, there are four inequivalent N+2.50+ sites. In the first N+2.50+ site, N+2.50+ is bonded in a bent 150 degrees geometry to two S2- atoms. There is one shorter (1.55 Å) and one longer (1.59 Å) N–S bond length. In the second N+2.50+ site, N+2.50+ is bonded in a bent 150 degrees geometry to two S2- atoms. There is one shorter (1.58 Å) and one longer (1.59 Å) N–S bond length. In the third N+2.50+ site, N+2.50+ is bonded in a bent 150 degrees geometry to two S2- atoms. There is one shorter (1.56 Å) and one longer (1.59 Å) N–S bond length. In the fourth N+2.50+ site, N+2.50+ is bonded in a bent 150 degrees geometry to two S2- atoms. There is one shorter (1.58 Å) and one longer (1.60 Å) N–S bond length. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two N+2.50+ and one Cl1- atom. The S–Cl bond length is 2.20 Å. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to two N+2.50+ atoms. In the third S2- site, S2- is bonded in a bent 120 degrees geometry to two N+2.50+ atoms. In the fourth S2- site, S2- is bonded in a bent 120 degrees geometry to two N+2.50+ atoms. Cl1- is bonded in a single-bond geometry to one S2- atom.

36 MATERIALS SCIENCE↗