Materials Data on Mn3CoO8 by Materials Project
Abstract
Mn3CoO8 is beta Vanadium nitride-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent CoO6 octahedra, an edgeedge with one CoO6 octahedra, and edges with four equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There is two shorter (1.91 Å) and four longer (1.94 Å) Mn–O bond length. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent MnO6 octahedra and edges with three equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Co–O bond lengths are 1.90 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn4+ and one Co4+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Mn4+ and one Co4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mn4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-773167
- 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; Mn3CoO8; Co-Mn-O
- OSTI Identifier:
- 1301626
- DOI:
- https://doi.org/10.17188/1301626
Citation Formats
The Materials Project. Materials Data on Mn3CoO8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1301626.
The Materials Project. Materials Data on Mn3CoO8 by Materials Project. United States. doi:https://doi.org/10.17188/1301626
The Materials Project. 2020.
"Materials Data on Mn3CoO8 by Materials Project". United States. doi:https://doi.org/10.17188/1301626. https://www.osti.gov/servlets/purl/1301626. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1301626,
title = {Materials Data on Mn3CoO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn3CoO8 is beta Vanadium nitride-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent CoO6 octahedra, an edgeedge with one CoO6 octahedra, and edges with four equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There is two shorter (1.91 Å) and four longer (1.94 Å) Mn–O bond length. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent MnO6 octahedra and edges with three equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Co–O bond lengths are 1.90 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn4+ and one Co4+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Mn4+ and one Co4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mn4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn4+ atoms.},
doi = {10.17188/1301626},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jun 05 00:00:00 EDT 2020},
month = {Fri Jun 05 00:00:00 EDT 2020}
}