Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Mn3Fe”

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.

2 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mn3Fe(PO4)6 by Materials Project

Mn3Fe(PO4)6 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are three inequivalent Mn+5.33+ sites. In the first Mn+5.33+ site, Mn+5.33+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six PO4 tetrahedra. There is three shorter (1.91 Å) and three longer (1.96 Å) Mn–O bond length. In the second Mn+5.33+ site, Mn+5.33+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six PO4 tetrahedra. There is three shorter (1.89 Å) and three longer (1.94 Å) Mn–O bond length. In the third Mn+5.33+ site, Mn+5.33+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six PO4 tetrahedra. There is three shorter (1.91 Å) and three longer (1.96 Å) Mn–O bond length. Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six PO4 tetrahedra. There is three shorter (1.97 Å) and three longer (1.98 Å) Fe–O bond length. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one FeO6 octahedra and corners with three MnO6 octahedra. The corner-sharing octahedra tilt angles range from 28–35°. There is one shorter (1.52 Å) and three longer (1.55 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one FeO6 octahedra and corners with three MnO6 octahedra. The corner-sharing octahedra tilt angles range from 29–35°. There are a spread of P–O bond distances ranging from 1.52–1.55 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn+5.33+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn+5.33+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn+5.33+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn+5.33+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn+5.33+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn+5.33+ and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3Fe by Materials Project

Mn3Fe crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded to ten Mn and two equivalent Fe atoms to form MnMn10Fe2 cuboctahedra that share corners with four equivalent MnMn10Fe2 cuboctahedra, corners with eight equivalent FeMn10Fe2 cuboctahedra, edges with four equivalent FeMn10Fe2 cuboctahedra, edges with twenty MnMn10Fe2 cuboctahedra, faces with six equivalent FeMn10Fe2 cuboctahedra, and faces with twelve MnMn10Fe2 cuboctahedra. There are eight shorter (2.52 Å) and two longer (2.54 Å) Mn–Mn bond lengths. Both Mn–Fe bond lengths are 2.53 Å. In the second Mn site, Mn is bonded to eight Mn and four equivalent Fe atoms to form distorted MnMn8Fe4 cuboctahedra that share corners with twelve MnMn8Fe4 cuboctahedra, edges with eight equivalent FeMn10Fe2 cuboctahedra, edges with sixteen MnMn10Fe2 cuboctahedra, faces with four equivalent FeMn10Fe2 cuboctahedra, and faces with fourteen MnMn10Fe2 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.50–2.56 Å. All Mn–Fe bond lengths are 2.50 Å. In the third Mn site, Mn is bonded to eight Mn and four equivalent Fe atoms to form distorted MnMn8Fe4 cuboctahedra that share corners with twelve MnMn8Fe4 cuboctahedra, edges with eight equivalent FeMn10Fe2 cuboctahedra, edges with sixteen MnMn10Fe2 cuboctahedra, faces with four equivalent FeMn10Fe2 cuboctahedra, and faces with fourteen MnMn10Fe2 cuboctahedra. Both Mn–Mn bond lengths are 2.54 Å. All Mn–Fe bond lengths are 2.50 Å. Fe is bonded to ten Mn and two equivalent Fe atoms to form FeMn10Fe2 cuboctahedra that share corners with four equivalent FeMn10Fe2 cuboctahedra, corners with eight equivalent MnMn10Fe2 cuboctahedra, edges with four equivalent FeMn10Fe2 cuboctahedra, edges with twenty MnMn10Fe2 cuboctahedra, faces with four equivalent FeMn10Fe2 cuboctahedra, and faces with fourteen MnMn10Fe2 cuboctahedra. Both Fe–Fe bond lengths are 2.54 Å.

36 MATERIALS SCIENCE↗