Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Fe-Mo-N-Pd”

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.

3 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on FeMo6Pd3N2 by Materials Project

Mo6FePd3N2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are six inequivalent Mo sites. In the first Mo site, Mo is bonded in a bent 150 degrees geometry to one Fe, two equivalent Pd, and two equivalent N atoms. The Mo–Fe bond length is 2.84 Å. There are one shorter (2.79 Å) and one longer (2.89 Å) Mo–Pd bond lengths. There are one shorter (2.13 Å) and one longer (2.15 Å) Mo–N bond lengths. In the second Mo site, Mo is bonded in a distorted bent 150 degrees geometry to two equivalent Fe, one Pd, and two equivalent N atoms. There are one shorter (2.69 Å) and one longer (2.97 Å) Mo–Fe bond lengths. The Mo–Pd bond length is 2.88 Å. There are one shorter (2.13 Å) and one longer (2.14 Å) Mo–N bond lengths. In the third Mo site, Mo is bonded in a distorted bent 150 degrees geometry to one Fe, two equivalent Pd, and two N atoms. The Mo–Fe bond length is 2.65 Å. There are one shorter (2.90 Å) and one longer (2.99 Å) Mo–Pd bond lengths. There are one shorter (2.13 Å) and one longer (2.14 Å) Mo–N bond lengths. In the fourth Mo site, Mo is bonded in a bent 150 degrees geometry to two equivalent Fe, one Pd, and two N atoms. There are one shorter (2.82 Å) and one longer (2.88 Å) Mo–Fe bond lengths. The Mo–Pd bond length is 2.78 Å. There are one shorter (2.13 Å) and one longer (2.15 Å) Mo–N bond lengths. In the fifth Mo site, Mo is bonded in a distorted bent 150 degrees geometry to two equivalent Fe, one Pd, and two N atoms. There are one shorter (2.70 Å) and one longer (2.80 Å) Mo–Fe bond lengths. The Mo–Pd bond length is 2.98 Å. Both Mo–N bond lengths are 2.14 Å. In the sixth Mo site, Mo is bonded in a bent 150 degrees geometry to one Fe, two equivalent Pd, and two N atoms. The Mo–Fe bond length is 2.87 Å. There are one shorter (2.79 Å) and one longer (2.89 Å) Mo–Pd bond lengths. There are one shorter (2.13 Å) and one longer (2.14 Å) Mo–N bond lengths. Fe is bonded to nine Mo and three Pd atoms to form distorted FeMo9Pd3 cuboctahedra that share corners with two equivalent FeMo9Pd3 cuboctahedra, corners with four equivalent PdMo9Pd3 cuboctahedra, edges with three NMo6 octahedra, faces with two equivalent FeMo9Pd3 cuboctahedra, faces with four equivalent PdMo9Pd3 cuboctahedra, and faces with four NMo6 octahedra. There are two shorter (2.51 Å) and one longer (2.52 Å) Fe–Pd bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded to nine Mo and three Pd atoms to form PdMo9Pd3 cuboctahedra that share corners with two equivalent PdMo9Pd3 cuboctahedra, corners with four equivalent FeMo9Pd3 cuboctahedra, edges with three NMo6 octahedra, faces with two equivalent PdMo9Pd3 cuboctahedra, faces with four equivalent FeMo9Pd3 cuboctahedra, and faces with four NMo6 octahedra. There are two shorter (2.60 Å) and one longer (2.62 Å) Pd–Pd bond lengths. In the second Pd site, Pd is bonded in a distorted single-bond geometry to one Fe and two equivalent Pd atoms. In the third Pd site, Pd is bonded in a distorted bent 120 degrees geometry to two equivalent Fe and one Pd atom. There are two inequivalent N sites. In the first N site, N is bonded to six Mo atoms to form distorted NMo6 octahedra that share corners with six NMo6 octahedra, an edgeedge with one FeMo9Pd3 cuboctahedra, edges with two equivalent PdMo9Pd3 cuboctahedra, faces with two equivalent FeMo9Pd3 cuboctahedra, and faces with two equivalent PdMo9Pd3 cuboctahedra. The corner-sharing octahedra tilt angles range from 22–27°. In the second N site, N is bonded to six Mo atoms to form distorted NMo6 octahedra that share corners with six NMo6 octahedra, an edgeedge with one PdMo9Pd3 cuboctahedra, edges with two equivalent FeMo9Pd3 cuboctahedra, faces with two equivalent FeMo9Pd3 cuboctahedra, and faces with two equivalent PdMo9Pd3 cuboctahedra. The corner-sharing octahedra tilt angles range from 22–27°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeMo3PdN by Materials Project

Mo3FePdN crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Mo is bonded in a distorted bent 150 degrees geometry to three equivalent Fe and two equivalent N atoms. There are a spread of Mo–Fe bond distances ranging from 2.74–2.94 Å. There are one shorter (2.12 Å) and one longer (2.13 Å) Mo–N bond lengths. Fe is bonded to nine equivalent Mo and three equivalent Pd atoms to form distorted FeMo9Pd3 cuboctahedra that share corners with six equivalent FeMo9Pd3 cuboctahedra, edges with three equivalent NMo6 octahedra, faces with six equivalent FeMo9Pd3 cuboctahedra, and faces with four equivalent NMo6 octahedra. All Fe–Pd bond lengths are 2.53 Å. Pd is bonded in a 12-coordinate geometry to three equivalent Fe atoms. N is bonded to six equivalent Mo atoms to form distorted NMo6 octahedra that share corners with six equivalent NMo6 octahedra, edges with three equivalent FeMo9Pd3 cuboctahedra, and faces with four equivalent FeMo9Pd3 cuboctahedra. The corner-sharing octahedral tilt angles are 25°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe3Mo6PdN2 by Materials Project

Mo6Fe3PdN2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are six inequivalent Mo sites. In the first Mo site, Mo is bonded in a distorted bent 150 degrees geometry to five Fe, one Pd, and two equivalent N atoms. There are a spread of Mo–Fe bond distances ranging from 2.67–2.85 Å. The Mo–Pd bond length is 2.83 Å. Both Mo–N bond lengths are 2.10 Å. In the second Mo site, Mo is bonded in a distorted bent 150 degrees geometry to four Fe, two equivalent Pd, and two equivalent N atoms. There are a spread of Mo–Fe bond distances ranging from 2.67–2.94 Å. There are one shorter (2.79 Å) and one longer (2.80 Å) Mo–Pd bond lengths. There are one shorter (2.10 Å) and one longer (2.11 Å) Mo–N bond lengths. In the third Mo site, Mo is bonded in a distorted bent 150 degrees geometry to five Fe, one Pd, and two N atoms. There are a spread of Mo–Fe bond distances ranging from 2.64–2.81 Å. The Mo–Pd bond length is 2.82 Å. Both Mo–N bond lengths are 2.10 Å. In the fourth Mo site, Mo is bonded in a distorted bent 150 degrees geometry to four Fe, two equivalent Pd, and two N atoms. There are a spread of Mo–Fe bond distances ranging from 2.75–2.91 Å. There are one shorter (2.83 Å) and one longer (2.85 Å) Mo–Pd bond lengths. There are one shorter (2.09 Å) and one longer (2.11 Å) Mo–N bond lengths. In the fifth Mo site, Mo is bonded in a distorted bent 150 degrees geometry to four Fe, two equivalent Pd, and two N atoms. There are a spread of Mo–Fe bond distances ranging from 2.69–3.10 Å. There are one shorter (2.81 Å) and one longer (2.83 Å) Mo–Pd bond lengths. There are one shorter (2.09 Å) and one longer (2.10 Å) Mo–N bond lengths. In the sixth Mo site, Mo is bonded in a distorted bent 150 degrees geometry to five Fe, one Pd, and two N atoms. There are a spread of Mo–Fe bond distances ranging from 2.71–2.80 Å. The Mo–Pd bond length is 2.85 Å. There are one shorter (2.11 Å) and one longer (2.12 Å) Mo–N bond lengths. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to nine Mo and three Fe atoms to form FeFe3Mo9 cuboctahedra that share corners with four equivalent PdFe3Mo9 cuboctahedra, corners with six FeFe3Mo9 cuboctahedra, edges with three NMo6 octahedra, faces with four FeFe3Mo9 cuboctahedra, faces with four equivalent PdFe3Mo9 cuboctahedra, and faces with four NMo6 octahedra. There are a spread of Fe–Fe bond distances ranging from 2.38–2.43 Å. In the second Fe site, Fe is bonded to nine Mo, two equivalent Fe, and one Pd atom to form distorted FeFe2Mo9Pd cuboctahedra that share corners with five equivalent PdFe3Mo9 cuboctahedra, corners with six FeFe3Mo9 cuboctahedra, edges with three NMo6 octahedra, faces with two equivalent PdFe3Mo9 cuboctahedra, faces with four FeFe3Mo9 cuboctahedra, and faces with four NMo6 octahedra. The Fe–Pd bond length is 2.59 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to nine Mo, one Fe, and two equivalent Pd atoms. There are one shorter (2.57 Å) and one longer (2.58 Å) Fe–Pd bond lengths. Pd is bonded to nine Mo and three Fe atoms to form distorted PdFe3Mo9 cuboctahedra that share corners with two equivalent PdFe3Mo9 cuboctahedra, corners with nine FeFe3Mo9 cuboctahedra, edges with three NMo6 octahedra, faces with two equivalent PdFe3Mo9 cuboctahedra, faces with six FeFe3Mo9 cuboctahedra, and faces with four NMo6 octahedra. There are two inequivalent N sites. In the first N site, N is bonded to six Mo atoms to form distorted NMo6 octahedra that share corners with six NMo6 octahedra, an edgeedge with one PdFe3Mo9 cuboctahedra, edges with three FeFe3Mo9 cuboctahedra, faces with two equivalent PdFe3Mo9 cuboctahedra, and faces with four FeFe3Mo9 cuboctahedra. The corner-sharing octahedra tilt angles range from 23–27°. In the second N site, N is bonded to six Mo atoms to form distorted NMo6 octahedra that share corners with six NMo6 octahedra, edges with two equivalent PdFe3Mo9 cuboctahedra, edges with three FeFe3Mo9 cuboctahedra, faces with two equivalent PdFe3Mo9 cuboctahedra, and faces with four FeFe3Mo9 cuboctahedra. The corner-sharing octahedra tilt angles range from 23–27°.

36 MATERIALS SCIENCE↗