Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Fe-N-O-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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on FeSNO by Materials Project

FeNSO crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four FeNSO clusters. there are four inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to one N1+ and three S2- atoms to form distorted edge-sharing FeS3N tetrahedra. The Fe–N bond length is 1.79 Å. All Fe–S bond lengths are 2.38 Å. In the second Fe3+ site, Fe3+ is bonded to one N1+ and three S2- atoms to form distorted edge-sharing FeS3N tetrahedra. The Fe–N bond length is 1.79 Å. There are one shorter (2.37 Å) and two longer (2.38 Å) Fe–S bond lengths. In the third Fe3+ site, Fe3+ is bonded to one N1+ and three S2- atoms to form distorted edge-sharing FeS3N tetrahedra. The Fe–N bond length is 1.79 Å. There are one shorter (2.37 Å) and two longer (2.38 Å) Fe–S bond lengths. In the fourth Fe3+ site, Fe3+ is bonded to one N1+ and three S2- atoms to form distorted edge-sharing FeS3N tetrahedra. The Fe–N bond length is 1.79 Å. There are two shorter (2.38 Å) and one longer (2.39 Å) Fe–S bond lengths. There are four inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a linear geometry to one Fe3+ and one O2- atom. The N–O bond length is 1.18 Å. In the second N1+ site, N1+ is bonded in a linear geometry to one Fe3+ and one O2- atom. The N–O bond length is 1.18 Å. In the third N1+ site, N1+ is bonded in a linear geometry to one Fe3+ and one O2- atom. The N–O bond length is 1.18 Å. In the fourth N1+ site, N1+ is bonded in a linear geometry to one Fe3+ and one O2- atom. The N–O bond length is 1.18 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three Fe3+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three Fe3+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to three Fe3+ atoms. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to three Fe3+ atoms. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeS2NO20 by Materials Project

FeO6NO6(SO4)2 crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of four chebi:30649 molecules, eight sulfuric acid molecules, and four NO6 clusters. In each NO6 cluster, N is bonded in a distorted octahedral geometry to six equivalent O atoms. All N–O bond lengths are 1.57 Å. O is bonded in a single-bond geometry to one N atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeS2NO8 by Materials Project

(Fe(SO4)2)2N2 crystallizes in the trigonal P321 space group. The structure is two-dimensional and consists of one ammonia molecule and one Fe(SO4)2 sheet oriented in the (0, 0, 1) direction. In the Fe(SO4)2 sheet, Fe3+ is bonded to six equivalent O2- atoms to form distorted FeO6 octahedra that share corners with six equivalent SO4 tetrahedra. All Fe–O bond lengths are 2.02 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 35°. There is one shorter (1.45 Å) and three longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one S6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeS6(NO2)9 by Materials Project

(Fe(SO3)6)2(N2)9 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of nine ammonia molecules and one Fe(SO3)6 cluster. In the Fe(SO3)6 cluster, Fe3+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Fe–O bond distances ranging from 1.96–2.32 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.43 Å) and one longer (1.45 Å) S–O bond length. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.56 Å. In the third S2- site, S2- is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.43 Å) and one longer (1.44 Å) S–O bond length. There are nine 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. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one S2- atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one S2- atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one S2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeS2(NO7)2 by Materials Project

FeO6(NO)2(SO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two chebi:30649 molecules, four nitroxyl molecules, and four sulfur trioxide molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe2S3(NO6)2 by Materials Project

Fe2(SO4)3N2 crystallizes in the cubic P2_13 space group. The structure is three-dimensional and consists of eight ammonia molecules and one Fe2(SO4)3 framework. In the Fe2(SO4)3 framework, there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent SO4 tetrahedra. All Fe–O bond lengths are 2.02 Å. In the second Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.02 Å) and three longer (2.03 Å) Fe–O bond lengths. S+3.33+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four FeO6 octahedra. The corner-sharing octahedra tilt angles range from 11–47°. There are a spread of S–O bond distances ranging from 1.47–1.50 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one S+3.33+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one S+3.33+ atom. In the third O2- site, O2- is bonded in a linear geometry to one Fe3+ and one S+3.33+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Fe3+ and one S+3.33+ atom.

36 MATERIALS SCIENCE↗