Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Co-O-Zr”

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 ZrCoO3 by Materials Project

ZrO2(CoO) is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Zr4+ is bonded to six equivalent O2- atoms to form distorted ZrO6 octahedra that share corners with nine equivalent CoO6 octahedra, edges with three equivalent ZrO6 octahedra, and a faceface with one CoO6 octahedra. The corner-sharing octahedra tilt angles range from 49–63°. There are three shorter (2.06 Å) and three longer (2.23 Å) Zr–O bond lengths. Co2+ is bonded to six equivalent O2- atoms to form distorted CoO6 octahedra that share corners with nine equivalent ZrO6 octahedra, edges with three equivalent CoO6 octahedra, and a faceface with one ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 49–63°. There are three shorter (2.11 Å) and three longer (2.22 Å) Co–O bond lengths. O2- is bonded to two equivalent Zr4+ and two equivalent Co2+ atoms to form a mixture of distorted edge and corner-sharing OZr2Co2 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr6Co2O by Materials Project

Zr6Co2O crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Zr6Co2O sheet oriented in the (0, 0, 1) direction. there are six inequivalent Zr sites. In the first Zr site, Zr is bonded in a distorted L-shaped geometry to two equivalent Co and two equivalent O atoms. Both Zr–Co bond lengths are 2.73 Å. Both Zr–O bond lengths are 2.18 Å. In the second Zr site, Zr is bonded in a 2-coordinate geometry to two equivalent Co atoms. Both Zr–Co bond lengths are 2.65 Å. In the third Zr site, Zr is bonded in a distorted single-bond geometry to two equivalent Co and one O atom. Both Zr–Co bond lengths are 2.63 Å. The Zr–O bond length is 2.11 Å. In the fourth Zr site, Zr is bonded in a distorted single-bond geometry to two equivalent Co and one O atom. Both Zr–Co bond lengths are 2.63 Å. The Zr–O bond length is 2.07 Å. In the fifth Zr site, Zr is bonded in a 2-coordinate geometry to two equivalent Co atoms. Both Zr–Co bond lengths are 2.62 Å. In the sixth Zr site, Zr is bonded in a 2-coordinate geometry to two equivalent Co atoms. Both Zr–Co bond lengths are 2.58 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to six Zr atoms. In the second Co site, Co is bonded in a 6-coordinate geometry to six Zr atoms. O is bonded to four Zr atoms to form corner-sharing OZr4 tetrahedra.

36 MATERIALS SCIENCE↗