U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgCoO3 by Materials Project
Abstract
MgCoO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form distorted MgO6 pentagonal pyramids that share corners with nine equivalent CoO6 octahedra, edges with three equivalent MgO6 pentagonal pyramids, and a faceface with one CoO6 octahedra. The corner-sharing octahedra tilt angles range from 40–61°. There are three shorter (2.02 Å) and three longer (2.18 Å) Mg–O bond lengths. Co4+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with nine equivalent MgO6 pentagonal pyramids, edges with three equivalent CoO6 octahedra, and a faceface with one MgO6 pentagonal pyramid. There is three shorter (1.87 Å) and three longer (1.88 Å) Co–O bond length. O2- is bonded in a distorted see-saw-like geometry to two equivalent Mg2+ and two equivalent Co4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-761524
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; MgCoO3; Co-Mg-O
- OSTI Identifier:
- 1292051
- DOI:
- https://doi.org/10.17188/1292051
Citation Formats
The Materials Project. Materials Data on MgCoO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1292051.
The Materials Project. Materials Data on MgCoO3 by Materials Project. United States. doi:https://doi.org/10.17188/1292051
The Materials Project. 2020.
"Materials Data on MgCoO3 by Materials Project". United States. doi:https://doi.org/10.17188/1292051. https://www.osti.gov/servlets/purl/1292051. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1292051,
title = {Materials Data on MgCoO3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgCoO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form distorted MgO6 pentagonal pyramids that share corners with nine equivalent CoO6 octahedra, edges with three equivalent MgO6 pentagonal pyramids, and a faceface with one CoO6 octahedra. The corner-sharing octahedra tilt angles range from 40–61°. There are three shorter (2.02 Å) and three longer (2.18 Å) Mg–O bond lengths. Co4+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with nine equivalent MgO6 pentagonal pyramids, edges with three equivalent CoO6 octahedra, and a faceface with one MgO6 pentagonal pyramid. There is three shorter (1.87 Å) and three longer (1.88 Å) Co–O bond length. O2- is bonded in a distorted see-saw-like geometry to two equivalent Mg2+ and two equivalent Co4+ atoms.},
doi = {10.17188/1292051},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}