Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Ca-Fe-O-Rh”

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 Ca3FeRhO6 by Materials Project

Ca3FeRhO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ca–O bond distances ranging from 2.33–2.62 Å. Fe3+ is bonded to six equivalent O2- atoms to form distorted FeO6 pentagonal pyramids that share faces with two equivalent RhO6 octahedra. All Fe–O bond lengths are 2.10 Å. Rh3+ is bonded to six equivalent O2- atoms to form RhO6 octahedra that share faces with two equivalent FeO6 pentagonal pyramids. All Rh–O bond lengths are 2.05 Å. O2- is bonded to four equivalent Ca2+, one Fe3+, and one Rh3+ atom to form a mixture of distorted face, edge, and corner-sharing OCa4FeRh octahedra. The corner-sharing octahedra tilt angles range from 0–69°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2FeRhO6 by Materials Project

Ca2FeRhO6 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.35–2.57 Å. In the second Ca site, Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.37–2.62 Å. In the third Ca site, Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.32–2.69 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Fe–O bond distances ranging from 1.98–2.16 Å. In the second Fe site, Fe is bonded to six O atoms to form distorted FeO6 pentagonal pyramids that share faces with two equivalent RhO6 octahedra. There are a spread of Fe–O bond distances ranging from 2.05–2.13 Å. Rh is bonded to six O atoms to form RhO6 octahedra that share a faceface with one FeO6 pentagonal pyramid. There are a spread of Rh–O bond distances ranging from 1.94–2.03 Å. There are six inequivalent O sites. In the first O site, O is bonded to three Ca, one Fe, and one Rh atom to form a mixture of face, edge, and corner-sharing OCa3FeRh square pyramids. In the second O site, O is bonded in a distorted rectangular see-saw-like geometry to two Ca, one Fe, and one Rh atom. In the third O site, O is bonded to three Ca, one Fe, and one Rh atom to form a mixture of face, edge, and corner-sharing OCa3FeRh square pyramids. In the fourth O site, O is bonded in a distorted rectangular see-saw-like geometry to two Ca, one Fe, and one Rh atom. In the fifth O site, O is bonded to three Ca, one Fe, and one Rh atom to form a mixture of distorted face, edge, and corner-sharing OCa3FeRh square pyramids. In the sixth O site, O is bonded to three Ca, one Fe, and one Rh atom to form a mixture of distorted face, edge, and corner-sharing OCa3FeRh square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3Fe2(RhO6)2 by Materials Project

Ca3Fe2(RhO6)2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.37–2.59 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent O atoms to form distorted FeO6 pentagonal pyramids that share faces with two equivalent RhO6 octahedra. All Fe–O bond lengths are 1.96 Å. In the second Fe site, Fe is bonded to six equivalent O atoms to form distorted FeO6 pentagonal pyramids that share faces with two equivalent RhO6 octahedra. All Fe–O bond lengths are 2.08 Å. Rh is bonded to six O atoms to form RhO6 octahedra that share faces with two FeO6 pentagonal pyramids. There is three shorter (1.96 Å) and three longer (1.99 Å) Rh–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a rectangular see-saw-like geometry to two equivalent Ca, one Fe, and one Rh atom. In the second O site, O is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca, one Fe, and one Rh atom.

36 MATERIALS SCIENCE↗