U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Mn(CoO3)2 by Materials Project
Abstract
Li2Mn(CoO3)2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Li1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.06 Å) and two longer (2.08 Å) Li–O bond lengths. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with six equivalent CoO6 octahedra. There is two shorter (1.93 Å) and four longer (1.97 Å) Mn–O bond length. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share edges with three equivalent MnO6 octahedra and edges with three equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.96–2.10 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Mn2+ and two equivalent Co4+ atoms. In the second O2- site, O2- is bonded to two equivalent Li1+, one Mn2+, and two equivalent Co4+ atoms to form a mixture of distorted edge and corner-sharing OLi2MnCo2 square pyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1177992
- 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; Li2Mn(CoO3)2; Co-Li-Mn-O
- OSTI Identifier:
- 1740569
- DOI:
- https://doi.org/10.17188/1740569
Citation Formats
The Materials Project. Materials Data on Li2Mn(CoO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1740569.
The Materials Project. Materials Data on Li2Mn(CoO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1740569
The Materials Project. 2020.
"Materials Data on Li2Mn(CoO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1740569. https://www.osti.gov/servlets/purl/1740569. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1740569,
title = {Materials Data on Li2Mn(CoO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Mn(CoO3)2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Li1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.06 Å) and two longer (2.08 Å) Li–O bond lengths. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with six equivalent CoO6 octahedra. There is two shorter (1.93 Å) and four longer (1.97 Å) Mn–O bond length. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share edges with three equivalent MnO6 octahedra and edges with three equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.96–2.10 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Mn2+ and two equivalent Co4+ atoms. In the second O2- site, O2- is bonded to two equivalent Li1+, one Mn2+, and two equivalent Co4+ atoms to form a mixture of distorted edge and corner-sharing OLi2MnCo2 square pyramids.},
doi = {10.17188/1740569},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}