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Results for “N-S-Sb”

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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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Materials Data on SbS2N by Materials Project

SbNS2 is alpha Np-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two SbNS2 clusters. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.51–2.89 Å. In the second Sb3+ site, Sb3+ is bonded in an L-shaped geometry to two S2- atoms. There are one shorter (2.40 Å) and one longer (2.44 Å) Sb–S bond lengths. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.54 Å. In the second N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S2- atoms. Both N–S bond lengths are 1.66 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to one Sb3+ and one N1+ atom. In the second S2- site, S2- is bonded in a water-like geometry to two N1+ atoms. In the third S2- site, S2- is bonded in an L-shaped geometry to two Sb3+ atoms. In the fourth S2- site, S2- is bonded in an L-shaped geometry to two Sb3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on SbS4N3 by Materials Project

SbN3S4 is Heusler-like structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sb3+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Sb–S bond lengths are 2.61 Å. N+1.67+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All N–S bond lengths are 2.61 Å. S2- is bonded in a body-centered cubic geometry to two equivalent Sb3+ and six equivalent N+1.67+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on SbS4N3 by Materials Project

SbN3S4 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one SbN3S4 ribbon oriented in the (0, 1, 0) direction. Sb3+ is bonded in a 2-coordinate geometry to two S2- atoms. There are one shorter (2.55 Å) and one longer (2.62 Å) Sb–S bond lengths. There are three inequivalent N+1.67+ sites. In the first N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.21 Å) and one longer (2.09 Å) N–S bond length. In the second N+1.67+ site, N+1.67+ is bonded in a distorted single-bond geometry to two S2- atoms. There is one shorter (1.34 Å) and one longer (2.52 Å) N–S bond length. In the third N+1.67+ site, N+1.67+ is bonded in a single-bond geometry to two S2- atoms. There are one shorter (1.60 Å) and one longer (2.66 Å) N–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one Sb3+ and two N+1.67+ atoms. In the second S2- site, S2- is bonded in a single-bond geometry to one Sb3+ atom. In the third S2- site, S2- is bonded in a 2-coordinate geometry to three N+1.67+ atoms. In the fourth S2- site, S2- is bonded in a single-bond geometry to one N+1.67+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SbS4N3 by Materials Project

SbN3S4 is High Pressure (4-7GPa) Tellurium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SbN3S4 cluster. Sb3+ is bonded in a 2-coordinate geometry to two S2- atoms. There are one shorter (2.54 Å) and one longer (2.71 Å) Sb–S bond lengths. There are three inequivalent N+1.67+ sites. In the first N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.61 Å) and one longer (1.70 Å) N–S bond length. In the second N+1.67+ site, N+1.67+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.58 Å. In the third N+1.67+ site, N+1.67+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.49 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two N+1.67+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to one Sb3+ and one S2- atom. The S–S bond length is 2.04 Å. In the third S2- site, S2- is bonded in a distorted water-like geometry to one Sb3+ and one N+1.67+ atom. In the fourth S2- site, S2- is bonded in a distorted single-bond geometry to one N+1.67+ and one S2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sb4S7N2 by Materials Project

(Sb2S3)2SN2 crystallizes in the monoclinic Pc space group. The structure is one-dimensional and consists of eight SN2 clusters and four Sb2S3 ribbons oriented in the (0, 1, 0) direction. In each SN2 cluster, there are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.47 Å. In the second N3- site, N3- is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.47 Å. S2- is bonded in a linear geometry to two N3- atoms. In each Sb2S3 ribbon, there are four inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.47 Å) and one longer (2.49 Å) Sb–S bond lengths. In the second Sb5+ site, Sb5+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are one shorter (2.46 Å) and two longer (2.48 Å) Sb–S bond lengths. In the third Sb5+ site, Sb5+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are one shorter (2.46 Å) and two longer (2.49 Å) Sb–S bond lengths. In the fourth Sb5+ site, Sb5+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are two shorter (2.46 Å) and one longer (2.55 Å) Sb–S bond lengths. There are twelve inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two Sb5+ atoms. There are one shorter (2.47 Å) and one longer (2.49 Å) S–Sb bond lengths. In the second S2- site, S2- is bonded in a distorted water-like geometry to two Sb5+ atoms. The S–Sb bond length is 2.48 Å. In the third S2- site, S2- is bonded in a water-like geometry to two Sb5+ atoms. In the fourth S2- site, S2- is bonded in a distorted water-like geometry to two Sb5+ atoms. The S–Sb bond length is 2.49 Å. In the fifth S2- site, S2- is bonded in an L-shaped geometry to two Sb5+ atoms. In the sixth S2- site, S2- is bonded in an L-shaped geometry to two Sb5+ atoms. There are one shorter (2.49 Å) and one longer (2.55 Å) S–Sb bond lengths. In the seventh S2- site, S2- is bonded in a water-like geometry to two Sb5+ atoms. The S–Sb bond length is 2.48 Å. In the eighth S2- site, S2- is bonded in a water-like geometry to two Sb5+ atoms. In the ninth S2- site, S2- is bonded in a water-like geometry to two Sb5+ atoms. There are one shorter (2.46 Å) and one longer (2.47 Å) S–Sb bond lengths. In the tenth S2- site, S2- is bonded in a water-like geometry to two Sb5+ atoms. The S–Sb bond length is 2.47 Å. In the eleventh S2- site, S2- is bonded in a water-like geometry to two Sb5+ atoms. The S–Sb bond length is 2.46 Å. In the twelfth S2- site, S2- is bonded in a water-like geometry to two Sb5+ atoms. The S–Sb bond length is 2.46 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on Sb4S3N2 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗