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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on S5N2(O2F)4 by Materials Project

N2S(SO2F)4 is Ammonia-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight ammonia molecules, four hydrogen sulfide molecules, and sixteen SO2F clusters. In each SO2F cluster, S+2.80+ is bonded in a trigonal non-coplanar geometry to two O2- and one F1- atom. Both S–O bond lengths are 1.42 Å. The S–F bond length is 1.59 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S+2.80+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S+2.80+ atom. F1- is bonded in a single-bond geometry to one S+2.80+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on S4N2O3F by Materials Project

N2(S)3SO3F crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight ammonia molecules, twelve hydrogen sulfide molecules, and four SO3F clusters. In each SO3F cluster, S+0.25+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is two shorter (1.45 Å) and one longer (1.47 Å) S–O bond length. The S–F bond length is 1.64 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S+0.25+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S+0.25+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S+0.25+ atom. F1- is bonded in a single-bond geometry to one S+0.25+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on S4N3O2F by Materials Project

N3S4O2F crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four N3S4O2F clusters. there are three inequivalent N+4.33+ sites. In the first N+4.33+ site, N+4.33+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.57 Å) and one longer (1.61 Å) N–S bond length. In the second N+4.33+ site, N+4.33+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.60 Å) and one longer (1.63 Å) N–S bond length. In the third N+4.33+ site, N+4.33+ 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 four inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two N+4.33+ atoms. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to two N+4.33+ atoms. In the third S2- site, S2- is bonded in a tetrahedral geometry to one N+4.33+, two O2-, and one F1- atom. There is one shorter (1.43 Å) and one longer (1.44 Å) S–O bond length. The S–F bond length is 1.61 Å. In the fourth S2- site, S2- is bonded in a single-bond geometry to one N+4.33+ atom. 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. F1- is bonded in a single-bond geometry to one S2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on S5N2O2F by Materials Project

N2S3S2O2F crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight N2S3 clusters and eight S2O2F clusters. In each N2S3 cluster, there are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two S+0.20- atoms. There is one shorter (1.59 Å) and one longer (1.60 Å) N–S bond length. In the second N3+ site, N3+ is bonded in a bent 120 degrees geometry to two S+0.20- atoms. There is one shorter (1.58 Å) and one longer (1.59 Å) N–S bond length. There are three inequivalent S+0.20- sites. In the first S+0.20- site, S+0.20- is bonded in a water-like geometry to two N3+ atoms. In the second S+0.20- site, S+0.20- is bonded in a distorted single-bond geometry to one N3+ atom. In the third S+0.20- site, S+0.20- is bonded in a 1-coordinate geometry to one N3+ atom. In each S2O2F cluster, there are two inequivalent S+0.20- sites. In the first S+0.20- site, S+0.20- is bonded in a distorted trigonal non-coplanar geometry to one S+0.20-, two O2-, and one F1- atom. The S–S bond length is 1.93 Å. Both S–O bond lengths are 1.45 Å. The S–F bond length is 1.76 Å. In the second S+0.20- site, S+0.20- is bonded in a distorted single-bond geometry to one S+0.20- atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S+0.20- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S+0.20- atom. F1- is bonded in a distorted single-bond geometry to one S+0.20- atom.

36 MATERIALS SCIENCE↗