Search NASA⌕ Search

SEARCH · Search NASA

Results for “TiMnO3”

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 TiMnO3 by Materials Project

MnTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form distorted TiO6 octahedra that share corners with nine equivalent MnO6 octahedra, edges with three equivalent TiO6 octahedra, and a faceface with one MnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–61°. There are three shorter (1.89 Å) and three longer (2.12 Å) Ti–O bond lengths. Mn2+ is bonded to six equivalent O2- atoms to form distorted MnO6 octahedra that share corners with nine equivalent TiO6 octahedra, edges with three equivalent MnO6 octahedra, and a faceface with one TiO6 octahedra. The corner-sharing octahedra tilt angles range from 43–61°. There are three shorter (2.14 Å) and three longer (2.30 Å) Mn–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Ti4+ and two equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiMnO3 by Materials Project

MnTiO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are three shorter (1.87 Å) and three longer (2.18 Å) Ti–O bond lengths. Mn2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.15 Å) and three longer (2.28 Å) Mn–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Ti4+ and two equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiMnO3 by Materials Project

MnTiO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ti4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ti–O bond distances ranging from 1.98–2.17 Å. Mn2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mn–O bond distances ranging from 2.01–2.49 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ti4+ and two equivalent Mn2+ atoms. In the second O2- site, O2- is bonded to three equivalent Ti4+ and one Mn2+ atom to form distorted OTi3Mn trigonal pyramids that share corners with four equivalent OTi2Mn2 tetrahedra, corners with two equivalent OTi3Mn trigonal pyramids, edges with two equivalent OTi2Mn2 tetrahedra, and edges with two equivalent OTi3Mn trigonal pyramids. In the third O2- site, O2- is bonded to two equivalent Ti4+ and two equivalent Mn2+ atoms to form OTi2Mn2 tetrahedra that share corners with two equivalent OTi2Mn2 tetrahedra, corners with four equivalent OTi3Mn trigonal pyramids, an edgeedge with one OTi2Mn2 tetrahedra, and edges with two equivalent OTi3Mn trigonal pyramids.

36 MATERIALS SCIENCE↗