U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZrCoO3 by Materials Project
Abstract
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.
- Publication Date:
- Other Number(s):
- mp-761293
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Co-O-Zr; ZrCoO3; crystal structure
- OSTI Identifier:
- 1291789
- DOI:
- https://doi.org/10.17188/1291789
Citation Formats
Materials Data on ZrCoO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1291789.
Materials Data on ZrCoO3 by Materials Project. United States. doi:https://doi.org/10.17188/1291789
2020.
"Materials Data on ZrCoO3 by Materials Project". United States. doi:https://doi.org/10.17188/1291789. https://www.osti.gov/servlets/purl/1291789. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1291789,
title = {Materials Data on ZrCoO3 by Materials Project},
abstractNote = {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.},
doi = {10.17188/1291789},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}