U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn(CoO3)2 by Materials Project
Abstract
Mn(CoO3)2 is trigonal omega-derived structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Mn(CoO3)2 sheet oriented in the (2, 0, -1) direction. Mn7+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with two equivalent MnO6 octahedra and edges with four equivalent CoO6 octahedra. There is four shorter (1.93 Å) and two longer (1.94 Å) Mn–O bond length. Co+2.50+ is bonded to six O2- atoms to form CoO6 octahedra that share edges with two equivalent MnO6 octahedra and edges with four equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.88–1.90 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mn7+ and two equivalent Co+2.50+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Mn7+ and one Co+2.50+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Co+2.50+ atoms.
- Publication Date:
- Other Number(s):
- mp-763057
- 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-Mn-O; Mn(CoO3)2; crystal structure
- OSTI Identifier:
- 1293155
- DOI:
- https://doi.org/10.17188/1293155
Citation Formats
Materials Data on Mn(CoO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1293155.
Materials Data on Mn(CoO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1293155
2020.
"Materials Data on Mn(CoO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1293155. https://www.osti.gov/servlets/purl/1293155. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1293155,
title = {Materials Data on Mn(CoO3)2 by Materials Project},
abstractNote = {Mn(CoO3)2 is trigonal omega-derived structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Mn(CoO3)2 sheet oriented in the (2, 0, -1) direction. Mn7+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with two equivalent MnO6 octahedra and edges with four equivalent CoO6 octahedra. There is four shorter (1.93 Å) and two longer (1.94 Å) Mn–O bond length. Co+2.50+ is bonded to six O2- atoms to form CoO6 octahedra that share edges with two equivalent MnO6 octahedra and edges with four equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.88–1.90 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mn7+ and two equivalent Co+2.50+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Mn7+ and one Co+2.50+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Co+2.50+ atoms.},
doi = {10.17188/1293155},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 04:00:00 UTC 2020},
month = {Thu Jul 23 04:00:00 UTC 2020}
}