Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Ca-Mn-Nd-O-Ti”

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 CaNdTiMnO6 by Materials Project

CaNdTiMnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.37–2.74 Å. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.38–2.74 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 26–31°. There are a spread of Ti–O bond distances ranging from 1.94–2.02 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 26–31°. There are a spread of Mn–O bond distances ranging from 1.93–2.14 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ca2+, one Nd3+, one Ti4+, and one Mn3+ atom to form distorted corner-sharing OCaNdTiMn tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two equivalent Nd3+, one Ti4+, and one Mn3+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two equivalent Nd3+, one Ti4+, and one Mn3+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+, one Nd3+, one Ti4+, and one Mn3+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+, one Nd3+, one Ti4+, and one Mn3+ atom. In the sixth O2- site, O2- is bonded to one Ca2+, one Nd3+, one Ti4+, and one Mn3+ atom to form distorted corner-sharing OCaNdTiMn tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaNd2Ti2Mn2O12 by Materials Project

CaNd2Ti2Mn2O12 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.37–2.56 Å. There are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 10-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.41–2.68 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.38–2.68 Å. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six MnO6 octahedra. The corner-sharing octahedra tilt angles range from 13–29°. There are a spread of Ti–O bond distances ranging from 1.86–2.10 Å. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six MnO6 octahedra. The corner-sharing octahedra tilt angles range from 17–27°. There are a spread of Ti–O bond distances ranging from 1.87–2.09 Å. There are two inequivalent Mn4+ sites. In the first Mn4+ site, Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six TiO6 octahedra. The corner-sharing octahedra tilt angles range from 17–27°. There are a spread of Mn–O bond distances ranging from 1.90–1.95 Å. In the second Mn4+ site, Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six TiO6 octahedra. The corner-sharing octahedra tilt angles range from 13–29°. There are a spread of Mn–O bond distances ranging from 1.91–1.95 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Nd3+, one Ti4+, and one Mn4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two Nd3+, one Ti4+, and one Mn4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two Nd3+, one Ti4+, and one Mn4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one Nd3+, one Ti4+, and one Mn4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one Nd3+, one Ti4+, and one Mn4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Nd3+, one Ti4+, and one Mn4+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one Nd3+, one Ti4+, and one Mn4+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Nd3+, one Ti4+, and one Mn4+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to two Nd3+, one Ti4+, and one Mn4+ atom. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one Nd3+, one Ti4+, and one Mn4+ atom. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one Nd3+, one Ti4+, and one Mn4+ atom. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one Nd3+, one Ti4+, and one Mn4+ atom.

36 MATERIALS SCIENCE↗