Materials Data on CoNiO3 by Materials Project
Abstract
CoNiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Co4+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with nine equivalent NiO6 octahedra, edges with three equivalent CoO6 octahedra, and a faceface with one NiO6 octahedra. The corner-sharing octahedra tilt angles range from 43–59°. There is three shorter (1.89 Å) and three longer (1.91 Å) Co–O bond length. Ni2+ is bonded to six equivalent O2- atoms to form distorted NiO6 octahedra that share corners with nine equivalent CoO6 octahedra, edges with three equivalent NiO6 octahedra, and a faceface with one CoO6 octahedra. The corner-sharing octahedra tilt angles range from 43–59°. There are three shorter (1.99 Å) and three longer (2.13 Å) Ni–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Co4+ and two equivalent Ni2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1178424
- 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; CoNiO3; Co-Ni-O
- OSTI Identifier:
- 1746290
- DOI:
- https://doi.org/10.17188/1746290
Citation Formats
The Materials Project. Materials Data on CoNiO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1746290.
The Materials Project. Materials Data on CoNiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1746290
The Materials Project. 2020.
"Materials Data on CoNiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1746290. https://www.osti.gov/servlets/purl/1746290. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1746290,
title = {Materials Data on CoNiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {CoNiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Co4+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with nine equivalent NiO6 octahedra, edges with three equivalent CoO6 octahedra, and a faceface with one NiO6 octahedra. The corner-sharing octahedra tilt angles range from 43–59°. There is three shorter (1.89 Å) and three longer (1.91 Å) Co–O bond length. Ni2+ is bonded to six equivalent O2- atoms to form distorted NiO6 octahedra that share corners with nine equivalent CoO6 octahedra, edges with three equivalent NiO6 octahedra, and a faceface with one CoO6 octahedra. The corner-sharing octahedra tilt angles range from 43–59°. There are three shorter (1.99 Å) and three longer (2.13 Å) Ni–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Co4+ and two equivalent Ni2+ atoms.},
doi = {10.17188/1746290},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}